REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ohi_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKAAAKRISD GVYWTGVLDW DLRNYHGYTL QGTTYNAYLV CGDEGVALID DATA SEQUENCE NSYPGTFDEL MARVEDALQQ VGMERVDYII QNHVEKDHSG VLVELHRRFP DATA SEQUENCE EAPIYCTEVA VKGLLKHYPS LREAEFMTVK TGDVLDLGGK TLTFLETPLL DATA SEQUENCE HWPDSMFTLL DEDGILFSND AFGQHLCCPQ RLDREIPEYI LMDAARKFYA DATA SEQUENCE NLITPLSKLV LKKFDEVKEL GLLERIQMIA PSHGQIWTDP MKIIEAYTGW DATA SEQUENCE ATGMVDERVT VIYDTMHGST RKMAHAIAEG AMSEGVDVRV YCLHEDDRSE DATA SEQUENCE IVKDILESGA IALGAPTIYD EPYPSVGDLL MYLRGLKFNR TLTRKALVFG DATA SEQUENCE SMGGNGGATG TMKELLAEAG FDVACEEEVY YVPTGDELDA CFEAGRKLAA DATA SEQUENCE EIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 K N 2.831 123.237 120.400 0.009 0.000 2.250 2 K HA 0.649 4.969 4.320 -0.000 0.000 0.285 2 K C -0.877 175.743 176.600 0.034 0.000 1.097 2 K CA -0.029 56.268 56.287 0.018 0.000 0.913 2 K CB 0.879 33.393 32.500 0.023 0.000 1.179 2 K HN 0.572 nan 8.250 nan 0.000 0.462 3 A N 2.251 125.088 122.820 0.029 0.000 2.429 3 A HA 0.627 4.947 4.320 -0.000 0.000 0.289 3 A C -1.008 176.609 177.584 0.055 0.000 1.043 3 A CA -0.715 51.355 52.037 0.053 0.000 0.722 3 A CB 1.392 20.416 19.000 0.040 0.000 1.243 3 A HN 0.639 nan 8.150 nan 0.000 0.415 4 A N 1.592 124.474 122.820 0.104 0.000 2.310 4 A HA 0.809 5.129 4.320 -0.000 0.000 0.299 4 A C 0.663 178.355 177.584 0.180 0.000 1.147 4 A CA 0.221 52.328 52.037 0.116 0.000 0.818 4 A CB 0.546 19.618 19.000 0.120 0.000 1.096 4 A HN 2.265 nan 8.150 nan 0.000 0.495 5 A N 1.435 124.348 122.820 0.156 0.000 2.287 5 A HA 0.616 4.936 4.320 -0.000 0.000 0.273 5 A C 0.249 178.041 177.584 0.347 0.000 1.091 5 A CA -0.343 51.838 52.037 0.239 0.000 0.817 5 A CB 0.324 19.410 19.000 0.143 0.000 1.069 5 A HN 0.857 nan 8.150 nan 0.000 0.492 6 K N 1.040 121.716 120.400 0.460 0.000 2.483 6 K HA 0.296 4.615 4.320 -0.000 0.000 0.256 6 K C -0.232 176.527 176.600 0.265 0.000 0.961 6 K CA -0.470 56.016 56.287 0.331 0.000 0.873 6 K CB 0.855 33.499 32.500 0.240 0.000 1.107 6 K HN 0.714 nan 8.250 nan 0.000 0.432 7 R N 6.221 126.795 120.500 0.124 0.000 2.446 7 R HA 0.052 4.391 4.340 -0.000 0.000 0.325 7 R C 0.811 177.019 176.300 -0.154 0.000 0.997 7 R CA 0.200 56.135 56.100 -0.275 0.000 1.010 7 R CB 0.038 30.165 30.300 -0.288 0.000 0.946 7 R HN 0.868 nan 8.270 nan 0.000 0.422 8 I N -0.213 120.271 120.570 -0.142 0.000 3.941 8 I HA 0.266 4.435 4.170 -0.000 0.000 0.321 8 I C 0.175 176.227 176.117 -0.108 0.000 1.284 8 I CA -0.198 61.061 61.300 -0.069 0.000 1.226 8 I CB 0.555 38.571 38.000 0.026 0.000 1.045 8 I HN 0.397 nan 8.210 nan 0.000 0.420 9 S N 0.208 115.810 115.700 -0.163 0.000 2.656 9 S HA 0.097 4.567 4.470 -0.000 0.000 0.265 9 S C -1.715 172.788 174.600 -0.162 0.000 1.132 9 S CA -0.701 57.418 58.200 -0.135 0.000 0.819 9 S CB 1.030 64.169 63.200 -0.102 0.000 1.119 9 S HN 0.372 nan 8.310 nan 0.000 0.476 10 D N 0.972 121.314 120.400 -0.097 0.000 2.368 10 D HA 0.334 4.974 4.640 -0.000 0.000 0.268 10 D C 1.216 177.501 176.300 -0.025 0.000 1.298 10 D CA 1.974 55.937 54.000 -0.061 0.000 0.938 10 D CB -0.103 40.677 40.800 -0.033 0.000 1.101 10 D HN 1.099 nan 8.370 nan 0.000 0.509 11 G N 2.729 111.528 108.800 -0.001 0.000 2.199 11 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 11 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 11 G C 0.300 175.309 174.900 0.181 0.000 0.982 11 G CA 0.320 45.503 45.100 0.138 0.000 0.632 11 G HN 0.551 nan 8.290 nan 0.000 0.529 12 V N 0.856 120.764 119.914 -0.010 0.000 2.398 12 V HA 0.732 4.851 4.120 -0.000 0.000 0.286 12 V C -0.332 175.701 176.094 -0.103 0.000 1.026 12 V CA -0.785 61.570 62.300 0.092 0.000 0.868 12 V CB 1.125 33.029 31.823 0.135 0.000 0.982 12 V HN 0.277 nan 8.190 nan 0.000 0.443 13 Y N 1.817 122.235 120.300 0.197 0.000 2.477 13 Y HA 0.421 4.971 4.550 -0.000 0.000 0.347 13 Y C -0.457 175.633 175.900 0.316 0.000 0.981 13 Y CA -0.785 57.445 58.100 0.217 0.000 1.033 13 Y CB 1.780 40.318 38.460 0.129 0.000 1.245 13 Y HN 0.761 nan 8.280 nan 0.000 0.455 14 W N 3.904 125.375 121.300 0.285 0.000 2.287 14 W HA 0.441 5.100 4.660 -0.000 0.000 0.313 14 W C 0.052 176.606 176.519 0.057 0.000 1.267 14 W CA -0.256 57.180 57.345 0.152 0.000 1.201 14 W CB 1.154 30.680 29.460 0.111 0.000 1.196 14 W HN 0.570 nan 8.180 nan 0.000 0.536 15 T N 2.645 116.741 114.554 -0.764 0.000 3.460 15 T HA 0.377 4.727 4.350 -0.000 0.000 0.304 15 T C 0.406 174.507 174.700 -0.999 0.000 0.991 15 T CA -0.106 61.547 62.100 -0.746 0.000 0.975 15 T CB -0.289 68.390 68.868 -0.317 0.000 1.196 15 T HN 0.519 nan 8.240 nan 0.000 0.490 16 G N 1.309 109.070 108.800 -1.732 0.000 2.531 16 G HA2 0.649 4.609 3.960 -0.000 0.000 0.253 16 G HA3 0.649 4.609 3.960 -0.000 0.000 0.253 16 G C -0.483 174.068 174.900 -0.582 0.000 1.439 16 G CA -0.130 44.407 45.100 -0.939 0.000 1.056 16 G HN 1.027 nan 8.290 nan 0.000 0.555 17 V N -1.783 118.080 119.914 -0.086 0.000 2.925 17 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 17 V C -0.869 175.268 176.094 0.072 0.000 1.104 17 V CA -1.070 61.268 62.300 0.063 0.000 0.954 17 V CB 1.857 33.752 31.823 0.120 0.000 1.022 17 V HN 0.548 nan 8.190 nan 0.000 0.427 18 L N 4.160 125.376 121.223 -0.011 0.000 2.288 18 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 18 L C -0.177 176.473 176.870 -0.366 0.000 1.072 18 L CA -0.215 54.425 54.840 -0.333 0.000 0.862 18 L CB 0.858 42.580 42.059 -0.561 0.000 1.245 18 L HN 0.730 nan 8.230 nan 0.000 0.432 19 D N 2.661 122.861 120.400 -0.333 0.000 2.517 19 D HA 0.020 4.659 4.640 -0.000 0.000 0.220 19 D C 0.786 177.001 176.300 -0.142 0.000 1.158 19 D CA -0.250 53.653 54.000 -0.161 0.000 0.992 19 D CB 0.338 41.041 40.800 -0.160 0.000 1.058 19 D HN 0.381 nan 8.370 nan 0.000 0.516 20 W N 1.418 122.714 121.300 -0.007 0.000 2.364 20 W HA -0.104 4.556 4.660 -0.000 0.000 0.281 20 W C 1.607 178.120 176.519 -0.011 0.000 1.219 20 W CA 0.266 57.608 57.345 -0.006 0.000 1.220 20 W CB 0.377 29.842 29.460 0.009 0.000 1.127 20 W HN 0.311 nan 8.180 nan 0.000 0.556 21 D N -0.816 119.703 120.400 0.198 0.000 2.355 21 D HA 0.031 4.671 4.640 -0.000 0.000 0.206 21 D C 0.609 176.943 176.300 0.057 0.000 1.010 21 D CA 0.094 54.169 54.000 0.125 0.000 0.875 21 D CB -0.262 40.603 40.800 0.108 0.000 0.966 21 D HN -0.044 nan 8.370 nan 0.000 0.512 22 L N 1.798 123.025 121.223 0.007 0.000 2.559 22 L HA -0.070 4.269 4.340 -0.000 0.000 0.282 22 L C 1.285 178.153 176.870 -0.003 0.000 1.232 22 L CA 0.727 55.548 54.840 -0.032 0.000 0.885 22 L CB 0.485 42.472 42.059 -0.119 0.000 1.131 22 L HN -0.190 nan 8.230 nan 0.000 0.498 23 R N 1.996 122.504 120.500 0.012 0.000 2.492 23 R HA 0.229 4.569 4.340 -0.000 0.000 0.219 23 R C -0.259 176.064 176.300 0.038 0.000 0.886 23 R CA -0.042 56.077 56.100 0.032 0.000 1.003 23 R CB -0.145 30.179 30.300 0.040 0.000 1.345 23 R HN 0.690 nan 8.270 nan 0.000 0.631 24 N N 0.384 119.106 118.700 0.037 0.000 2.519 24 N HA 0.035 4.775 4.740 -0.000 0.000 0.286 24 N C -1.864 173.687 175.510 0.068 0.000 1.079 24 N CA -0.465 52.614 53.050 0.049 0.000 0.878 24 N CB 0.826 39.338 38.487 0.041 0.000 1.375 24 N HN -0.108 nan 8.380 nan 0.000 0.514 25 Y N 6.251 126.444 120.300 -0.178 0.000 2.804 25 Y HA 0.225 4.775 4.550 -0.000 0.000 0.330 25 Y C -0.063 175.523 175.900 -0.525 0.000 1.092 25 Y CA -0.821 57.061 58.100 -0.364 0.000 1.315 25 Y CB -0.840 37.269 38.460 -0.585 0.000 1.188 25 Y HN 0.715 nan 8.280 nan 0.000 0.512 26 H N 2.363 121.387 119.070 -0.076 0.000 2.425 26 H HA -0.201 4.355 4.556 -0.000 0.000 0.304 26 H C 0.839 176.115 175.328 -0.086 0.000 0.891 26 H CA 0.624 56.605 56.048 -0.113 0.000 0.999 26 H CB -1.546 28.108 29.762 -0.180 0.000 1.601 26 H HN 1.162 nan 8.280 nan 0.000 0.319 27 G N 1.806 110.615 108.800 0.016 0.000 2.323 27 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.292 27 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.292 27 G C -0.366 174.515 174.900 -0.032 0.000 1.040 27 G CA 0.610 45.679 45.100 -0.052 0.000 0.942 27 G HN 1.087 nan 8.290 nan 0.000 0.506 28 Y N 0.791 121.003 120.300 -0.147 0.000 2.307 28 Y HA 0.487 5.036 4.550 -0.000 0.000 0.323 28 Y C 0.543 176.388 175.900 -0.091 0.000 1.100 28 Y CA -0.418 57.610 58.100 -0.120 0.000 1.140 28 Y CB 1.224 39.583 38.460 -0.169 0.000 1.159 28 Y HN 0.410 nan 8.280 nan 0.000 0.436 29 T N 4.321 118.930 114.554 0.091 0.000 2.909 29 T HA 0.742 5.091 4.350 -0.000 0.000 0.289 29 T C -0.635 174.187 174.700 0.203 0.000 1.005 29 T CA -0.384 61.779 62.100 0.104 0.000 1.084 29 T CB 1.618 70.500 68.868 0.024 0.000 0.975 29 T HN 0.626 nan 8.240 nan 0.000 0.509 30 L N -1.072 120.237 121.223 0.144 0.000 2.940 30 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 30 L C -0.931 175.991 176.870 0.087 0.000 1.030 30 L CA -1.015 53.912 54.840 0.145 0.000 0.928 30 L CB 1.627 43.751 42.059 0.108 0.000 1.506 30 L HN 0.430 nan 8.230 nan 0.000 0.405 31 Q N 1.169 121.023 119.800 0.090 0.000 2.815 31 Q HA 0.557 4.896 4.340 -0.000 0.000 0.329 31 Q C 0.016 176.059 176.000 0.072 0.000 1.037 31 Q CA 0.394 56.247 55.803 0.085 0.000 1.002 31 Q CB 1.249 30.048 28.738 0.101 0.000 1.274 31 Q HN 1.137 nan 8.270 nan 0.000 0.452 32 G N 0.845 109.663 108.800 0.030 0.000 2.733 32 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 32 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 32 G C -0.531 174.311 174.900 -0.097 0.000 1.373 32 G CA -0.075 45.008 45.100 -0.028 0.000 0.838 32 G HN 0.374 nan 8.290 nan 0.000 0.588 33 T N -0.868 113.561 114.554 -0.209 0.000 2.778 33 T HA 0.923 5.273 4.350 -0.000 0.000 0.293 33 T C 0.371 174.836 174.700 -0.392 0.000 1.144 33 T CA 0.923 62.892 62.100 -0.218 0.000 1.010 33 T CB 1.638 70.421 68.868 -0.142 0.000 1.325 33 T HN 2.142 nan 8.240 nan 0.000 0.515 34 T N 0.272 114.644 114.554 -0.302 0.000 2.908 34 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 34 T C -1.617 172.855 174.700 -0.381 0.000 1.034 34 T CA -0.602 61.300 62.100 -0.330 0.000 1.010 34 T CB 1.093 69.917 68.868 -0.073 0.000 1.068 34 T HN 0.481 nan 8.240 nan 0.000 0.481 35 Y N 1.319 121.686 120.300 0.112 0.000 2.587 35 Y HA 0.419 4.968 4.550 -0.000 0.000 0.328 35 Y C 0.258 176.150 175.900 -0.013 0.000 0.980 35 Y CA -1.531 56.595 58.100 0.043 0.000 1.272 35 Y CB 0.467 38.942 38.460 0.025 0.000 1.094 35 Y HN 0.554 nan 8.280 nan 0.000 0.503 36 N N 2.772 121.512 118.700 0.067 0.000 2.430 36 N HA 0.521 5.261 4.740 -0.000 0.000 0.265 36 N C -0.441 174.835 175.510 -0.391 0.000 1.100 36 N CA -0.121 52.854 53.050 -0.126 0.000 0.961 36 N CB 1.632 40.127 38.487 0.012 0.000 1.075 36 N HN 0.656 nan 8.380 nan 0.000 0.478 37 A N 2.788 125.229 122.820 -0.633 0.000 2.350 37 A HA 0.710 5.030 4.320 -0.000 0.000 0.324 37 A C -1.357 175.802 177.584 -0.709 0.000 1.118 37 A CA -0.593 51.144 52.037 -0.500 0.000 0.783 37 A CB 0.863 19.680 19.000 -0.306 0.000 1.236 37 A HN 0.602 nan 8.150 nan 0.000 0.457 38 Y N 0.567 120.834 120.300 -0.055 0.000 2.425 38 Y HA 0.584 5.134 4.550 -0.000 0.000 0.344 38 Y C -0.392 175.467 175.900 -0.068 0.000 0.969 38 Y CA -0.679 57.423 58.100 0.004 0.000 1.052 38 Y CB 2.153 40.680 38.460 0.112 0.000 1.215 38 Y HN 0.605 nan 8.280 nan 0.000 0.451 39 L N 3.801 125.123 121.223 0.166 0.000 2.296 39 L HA 0.733 5.073 4.340 -0.000 0.000 0.286 39 L C -1.235 175.727 176.870 0.153 0.000 1.023 39 L CA -0.563 54.332 54.840 0.090 0.000 0.812 39 L CB 1.245 43.336 42.059 0.053 0.000 1.223 39 L HN 0.470 nan 8.230 nan 0.000 0.421 40 V N 3.914 123.862 119.914 0.056 0.000 2.407 40 V HA 0.454 4.573 4.120 -0.000 0.000 0.291 40 V C -0.584 175.546 176.094 0.060 0.000 1.018 40 V CA -0.645 61.697 62.300 0.070 0.000 0.842 40 V CB 1.285 33.095 31.823 -0.021 0.000 0.996 40 V HN 0.845 nan 8.190 nan 0.000 0.426 41 C N 3.436 122.797 119.300 0.101 0.000 2.456 41 C HA 0.946 5.406 4.460 -0.000 0.000 0.325 41 C C 1.198 176.227 174.990 0.065 0.000 1.217 41 C CA -0.213 58.850 59.018 0.075 0.000 1.687 41 C CB 0.945 28.737 27.740 0.086 0.000 2.270 41 C HN 1.032 nan 8.230 nan 0.000 0.499 42 G N 0.693 109.522 108.800 0.048 0.000 3.410 42 G HA2 0.340 4.300 3.960 -0.000 0.000 0.189 42 G HA3 0.340 4.300 3.960 -0.000 0.000 0.189 42 G C 0.130 175.052 174.900 0.037 0.000 1.404 42 G CA 0.147 45.269 45.100 0.037 0.000 0.898 42 G HN 0.638 nan 8.290 nan 0.000 0.650 43 D N -0.951 119.468 120.400 0.032 0.000 2.455 43 D HA 0.137 4.777 4.640 -0.000 0.000 0.228 43 D C 1.721 178.039 176.300 0.030 0.000 1.070 43 D CA 0.515 54.532 54.000 0.028 0.000 0.881 43 D CB 1.143 41.957 40.800 0.023 0.000 1.087 43 D HN 0.237 nan 8.370 nan 0.000 0.498 44 E N 0.006 120.230 120.200 0.040 0.000 2.364 44 E HA 0.297 4.647 4.350 -0.000 0.000 0.203 44 E C 0.667 177.305 176.600 0.062 0.000 0.888 44 E CA 0.150 56.579 56.400 0.047 0.000 0.989 44 E CB 1.264 30.997 29.700 0.056 0.000 0.985 44 E HN 0.138 nan 8.360 nan 0.000 0.499 45 G N -0.763 108.091 108.800 0.090 0.000 2.708 45 G HA2 0.547 4.506 3.960 -0.000 0.000 0.289 45 G HA3 0.547 4.506 3.960 -0.000 0.000 0.289 45 G C -1.735 173.232 174.900 0.112 0.000 1.416 45 G CA -0.393 44.788 45.100 0.134 0.000 0.829 45 G HN 0.083 nan 8.290 nan 0.000 0.480 46 V N -0.329 119.644 119.914 0.099 0.000 2.612 46 V HA 0.808 4.928 4.120 -0.000 0.000 0.301 46 V C -0.290 175.853 176.094 0.082 0.000 1.059 46 V CA -0.075 62.256 62.300 0.050 0.000 0.886 46 V CB 1.070 32.871 31.823 -0.036 0.000 1.007 46 V HN 1.715 nan 8.190 nan 0.000 0.426 47 A N 6.213 129.078 122.820 0.076 0.000 2.306 47 A HA 0.870 5.190 4.320 -0.000 0.000 0.314 47 A C -0.949 176.611 177.584 -0.040 0.000 1.164 47 A CA -0.614 51.449 52.037 0.043 0.000 0.822 47 A CB 1.405 20.383 19.000 -0.036 0.000 1.130 47 A HN 1.424 nan 8.150 nan 0.000 0.496 48 L N 3.161 124.360 121.223 -0.041 0.000 2.298 48 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 48 L C -0.930 175.919 176.870 -0.035 0.000 1.013 48 L CA -0.184 54.624 54.840 -0.052 0.000 0.824 48 L CB 0.686 42.711 42.059 -0.055 0.000 1.221 48 L HN 0.561 nan 8.230 nan 0.000 0.418 49 I N 5.683 126.209 120.570 -0.074 0.000 2.297 49 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 49 I C -0.371 175.755 176.117 0.016 0.000 1.033 49 I CA -0.318 60.950 61.300 -0.054 0.000 1.253 49 I CB 0.368 38.225 38.000 -0.239 0.000 1.396 49 I HN 0.674 nan 8.210 nan 0.000 0.476 50 D N 3.941 124.371 120.400 0.049 0.000 10.640 50 D HA -0.191 4.449 4.640 -0.000 0.000 0.360 50 D C -0.513 175.803 176.300 0.028 0.000 3.073 50 D CA 0.807 54.842 54.000 0.058 0.000 2.519 50 D CB -0.090 40.745 40.800 0.059 0.000 1.179 50 D HN 0.814 nan 8.370 nan 0.000 0.978 51 N N -1.744 116.986 118.700 0.049 0.000 3.249 51 N HA 0.630 5.370 4.740 -0.000 0.000 0.254 51 N C -0.706 174.825 175.510 0.035 0.000 1.527 51 N CA -0.193 52.869 53.050 0.020 0.000 0.919 51 N CB 0.673 39.178 38.487 0.030 0.000 3.007 51 N HN 0.573 nan 8.380 nan 0.000 0.380 52 S N -1.834 113.862 115.700 -0.006 0.000 2.790 52 S HA 0.347 4.817 4.470 -0.000 0.000 0.292 52 S C -1.307 173.173 174.600 -0.201 0.000 1.197 52 S CA -0.741 57.411 58.200 -0.079 0.000 0.851 52 S CB 0.693 63.898 63.200 0.007 0.000 1.217 52 S HN 0.487 nan 8.310 nan 0.000 0.526 53 Y N 3.059 123.013 120.300 -0.578 0.000 2.683 53 Y HA 0.282 4.832 4.550 -0.000 0.000 0.340 53 Y C -2.519 173.268 175.900 -0.188 0.000 1.245 53 Y CA -0.633 57.179 58.100 -0.480 0.000 1.485 53 Y CB 0.197 38.241 38.460 -0.694 0.000 1.328 53 Y HN 0.339 nan 8.280 nan 0.000 0.603 54 P HA 0.144 nan 4.420 nan 0.000 0.268 54 P C 0.215 177.510 177.300 -0.008 0.000 1.205 54 P CA 1.595 64.559 63.100 -0.226 0.000 0.771 54 P CB 0.589 32.118 31.700 -0.285 0.000 0.858 55 G N 1.806 110.633 108.800 0.045 0.000 2.175 55 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 55 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 55 G C 0.476 175.455 174.900 0.133 0.000 0.982 55 G CA 0.423 45.585 45.100 0.103 0.000 0.641 55 G HN 0.724 nan 8.290 nan 0.000 0.527 56 T N -2.678 111.957 114.554 0.135 0.000 3.266 56 T HA 0.480 4.830 4.350 -0.000 0.000 0.278 56 T C 1.333 176.108 174.700 0.124 0.000 1.010 56 T CA 0.481 62.658 62.100 0.128 0.000 0.909 56 T CB -0.026 68.922 68.868 0.133 0.000 1.122 56 T HN 0.461 nan 8.240 nan 0.000 0.536 57 F N 3.039 122.984 119.950 -0.009 0.000 2.234 57 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 57 F C 1.227 177.013 175.800 -0.024 0.000 1.087 57 F CA 1.001 58.984 58.000 -0.028 0.000 1.340 57 F CB -0.187 38.788 39.000 -0.041 0.000 1.031 57 F HN 0.202 nan 8.300 nan 0.000 0.500 58 D N -0.064 120.301 120.400 -0.058 0.000 2.097 58 D HA -0.227 4.412 4.640 -0.000 0.000 0.195 58 D C 2.110 178.305 176.300 -0.176 0.000 0.989 58 D CA 1.652 55.567 54.000 -0.142 0.000 0.827 58 D CB -0.453 40.336 40.800 -0.019 0.000 0.966 58 D HN 0.457 nan 8.370 nan 0.000 0.456 59 E N 0.237 120.381 120.200 -0.093 0.000 2.038 59 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 59 E C 2.064 178.567 176.600 -0.161 0.000 1.000 59 E CA 0.636 56.988 56.400 -0.079 0.000 0.803 59 E CB -0.163 29.530 29.700 -0.011 0.000 0.750 59 E HN 0.262 nan 8.360 nan 0.000 0.448 60 L N 0.046 121.150 121.223 -0.199 0.000 2.017 60 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 60 L C 2.448 179.141 176.870 -0.294 0.000 1.073 60 L CA 1.286 55.980 54.840 -0.244 0.000 0.745 60 L CB -0.197 41.757 42.059 -0.176 0.000 0.894 60 L HN 0.291 nan 8.230 nan 0.000 0.432 61 M N -0.210 119.113 119.600 -0.462 0.000 2.108 61 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 61 M C 2.453 178.599 176.300 -0.258 0.000 1.066 61 M CA 1.930 56.949 55.300 -0.468 0.000 1.107 61 M CB -1.525 30.591 32.600 -0.806 0.000 1.356 61 M HN 0.468 nan 8.290 nan 0.000 0.406 62 A N -0.144 122.546 122.820 -0.216 0.000 1.908 62 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 62 A C 2.328 179.849 177.584 -0.105 0.000 1.181 62 A CA 1.808 53.769 52.037 -0.127 0.000 0.627 62 A CB -0.535 18.412 19.000 -0.089 0.000 0.818 62 A HN 0.523 nan 8.150 nan 0.000 0.445 63 R N -0.471 119.950 120.500 -0.131 0.000 2.057 63 R HA -0.082 4.257 4.340 -0.000 0.000 0.229 63 R C 2.230 178.457 176.300 -0.123 0.000 1.136 63 R CA 1.603 57.630 56.100 -0.122 0.000 0.952 63 R CB -0.924 29.253 30.300 -0.205 0.000 0.848 63 R HN 0.571 nan 8.270 nan 0.000 0.430 64 V N -0.189 119.642 119.914 -0.138 0.000 2.324 64 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 64 V C 1.754 177.796 176.094 -0.086 0.000 1.060 64 V CA 1.946 64.182 62.300 -0.105 0.000 1.042 64 V CB -0.682 31.108 31.823 -0.054 0.000 0.650 64 V HN 0.250 nan 8.190 nan 0.000 0.450 65 E N 0.500 120.657 120.200 -0.071 0.000 2.085 65 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 65 E C 1.992 178.549 176.600 -0.071 0.000 0.994 65 E CA 1.797 58.164 56.400 -0.055 0.000 0.801 65 E CB -0.255 29.410 29.700 -0.058 0.000 0.743 65 E HN 0.810 nan 8.360 nan 0.000 0.453 66 D N -0.248 120.105 120.400 -0.077 0.000 2.149 66 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 66 D C 1.831 178.053 176.300 -0.131 0.000 0.972 66 D CA 1.246 55.205 54.000 -0.069 0.000 0.835 66 D CB 0.002 40.784 40.800 -0.030 0.000 0.966 66 D HN 0.158 nan 8.370 nan 0.000 0.476 67 A N 0.187 122.883 122.820 -0.207 0.000 1.877 67 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 67 A C 2.315 179.619 177.584 -0.468 0.000 1.186 67 A CA 1.112 52.853 52.037 -0.493 0.000 0.620 67 A CB -0.908 17.798 19.000 -0.490 0.000 0.822 67 A HN 0.359 nan 8.150 nan 0.000 0.443 68 L N -0.717 120.352 121.223 -0.256 0.000 2.275 68 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 68 L C 2.782 179.581 176.870 -0.118 0.000 1.119 68 L CA 1.076 55.818 54.840 -0.165 0.000 0.790 68 L CB -0.382 41.623 42.059 -0.090 0.000 0.919 68 L HN 0.456 nan 8.230 nan 0.000 0.443 69 Q N 0.168 119.902 119.800 -0.111 0.000 2.137 69 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 69 Q C 2.105 178.069 176.000 -0.059 0.000 0.960 69 Q CA 1.393 57.157 55.803 -0.065 0.000 0.847 69 Q CB 0.100 28.809 28.738 -0.048 0.000 0.915 69 Q HN 0.584 nan 8.270 nan 0.000 0.448 70 Q N -0.522 119.221 119.800 -0.095 0.000 2.119 70 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 70 Q C 2.020 178.014 176.000 -0.011 0.000 0.972 70 Q CA 1.524 57.304 55.803 -0.038 0.000 0.847 70 Q CB 0.292 29.018 28.738 -0.020 0.000 0.903 70 Q HN 0.216 nan 8.270 nan 0.000 0.433 71 V N -1.328 118.542 119.914 -0.073 0.000 3.052 71 V HA 0.117 4.237 4.120 -0.000 0.000 0.254 71 V C 1.357 177.448 176.094 -0.006 0.000 1.100 71 V CA 1.032 63.327 62.300 -0.007 0.000 1.112 71 V CB 0.084 31.893 31.823 -0.024 0.000 0.738 71 V HN 0.552 nan 8.190 nan 0.000 0.469 72 G N -0.005 108.779 108.800 -0.026 0.000 2.131 72 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 72 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 72 G C 0.033 174.923 174.900 -0.017 0.000 0.990 72 G CA 0.134 45.225 45.100 -0.015 0.000 0.671 72 G HN 0.257 nan 8.290 nan 0.000 0.521 73 M N -0.200 119.381 119.600 -0.031 0.000 2.283 73 M HA 0.419 4.899 4.480 -0.000 0.000 0.314 73 M C 1.218 177.503 176.300 -0.025 0.000 1.153 73 M CA -0.106 55.176 55.300 -0.030 0.000 1.084 73 M CB 0.612 33.185 32.600 -0.044 0.000 1.468 73 M HN 0.063 nan 8.290 nan 0.000 0.474 74 E N 0.779 120.970 120.200 -0.017 0.000 2.413 74 E HA 0.124 4.474 4.350 -0.000 0.000 0.203 74 E C 0.037 176.662 176.600 0.041 0.000 0.957 74 E CA 0.338 56.742 56.400 0.006 0.000 0.950 74 E CB 1.096 30.800 29.700 0.008 0.000 0.957 74 E HN 0.641 nan 8.360 nan 0.000 0.497 75 R N -1.261 119.240 120.500 0.001 0.000 2.728 75 R HA 0.453 4.793 4.340 -0.000 0.000 0.274 75 R C -1.034 175.092 176.300 -0.289 0.000 1.030 75 R CA -0.738 55.364 56.100 0.002 0.000 0.876 75 R CB 0.905 31.239 30.300 0.057 0.000 1.259 75 R HN -0.238 nan 8.270 nan 0.000 0.468 76 V N 2.020 121.422 119.914 -0.854 0.000 2.432 76 V HA 0.082 4.202 4.120 -0.000 0.000 0.271 76 V C 0.110 175.788 176.094 -0.693 0.000 1.046 76 V CA 0.005 61.773 62.300 -0.886 0.000 0.945 76 V CB 1.194 32.250 31.823 -1.278 0.000 0.992 76 V HN 0.785 nan 8.190 nan 0.000 0.471 77 D N 2.874 122.999 120.400 -0.457 0.000 2.271 77 D HA 0.069 4.709 4.640 -0.000 0.000 0.206 77 D C -0.352 175.480 176.300 -0.780 0.000 0.967 77 D CA 1.229 54.855 54.000 -0.623 0.000 0.867 77 D CB 0.372 40.736 40.800 -0.728 0.000 0.960 77 D HN 0.618 nan 8.370 nan 0.000 0.509 78 Y N -0.173 120.075 120.300 -0.087 0.000 2.386 78 Y HA 0.445 4.994 4.550 -0.000 0.000 0.334 78 Y C -0.172 175.727 175.900 -0.001 0.000 1.002 78 Y CA -0.818 57.298 58.100 0.025 0.000 1.068 78 Y CB 1.646 40.105 38.460 -0.003 0.000 1.203 78 Y HN -0.321 nan 8.280 nan 0.000 0.443 79 I N 5.125 125.821 120.570 0.209 0.000 2.312 79 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 79 I C -0.493 175.747 176.117 0.205 0.000 1.008 79 I CA -0.379 61.006 61.300 0.141 0.000 1.226 79 I CB 0.784 38.850 38.000 0.110 0.000 1.371 79 I HN 0.499 nan 8.210 nan 0.000 0.468 80 I N 6.164 126.826 120.570 0.155 0.000 2.377 80 I HA 0.275 4.444 4.170 -0.000 0.000 0.293 80 I C -0.226 175.979 176.117 0.146 0.000 0.987 80 I CA -0.713 60.696 61.300 0.181 0.000 1.185 80 I CB 1.401 39.503 38.000 0.169 0.000 1.341 80 I HN 0.453 nan 8.210 nan 0.000 0.455 81 Q N 5.379 125.275 119.800 0.160 0.000 2.413 81 Q HA 0.308 4.647 4.340 -0.000 0.000 0.258 81 Q C -0.036 176.065 176.000 0.169 0.000 1.037 81 Q CA -0.144 55.749 55.803 0.150 0.000 0.764 81 Q CB 1.404 30.230 28.738 0.147 0.000 1.217 81 Q HN 0.636 nan 8.270 nan 0.000 0.490 82 N N 0.747 119.559 118.700 0.186 0.000 2.459 82 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 82 N C -0.211 175.440 175.510 0.235 0.000 1.046 82 N CA 0.608 53.786 53.050 0.212 0.000 0.904 82 N CB 0.267 38.889 38.487 0.226 0.000 0.964 82 N HN 0.356 nan 8.380 nan 0.000 0.444 83 H N -1.120 118.002 119.070 0.087 0.000 3.123 83 H HA 0.093 4.649 4.556 -0.000 0.000 0.346 83 H C 0.172 175.529 175.328 0.049 0.000 1.138 83 H CA -1.059 55.023 56.048 0.056 0.000 1.273 83 H CB 0.883 30.656 29.762 0.018 0.000 1.926 83 H HN -0.152 nan 8.280 nan 0.000 0.524 84 V N 1.247 121.197 119.914 0.060 0.000 3.129 84 V HA 0.180 4.300 4.120 -0.000 0.000 0.259 84 V C 0.905 176.788 176.094 -0.351 0.000 1.116 84 V CA 0.800 63.063 62.300 -0.061 0.000 1.127 84 V CB -0.492 31.392 31.823 0.101 0.000 0.742 84 V HN 0.711 nan 8.190 nan 0.000 0.474 85 E N 1.768 121.500 120.200 -0.780 0.000 2.467 85 E HA -0.091 4.258 4.350 -0.000 0.000 0.264 85 E C 1.386 177.771 176.600 -0.359 0.000 1.020 85 E CA 0.456 56.416 56.400 -0.733 0.000 0.945 85 E CB 0.668 29.701 29.700 -1.110 0.000 0.942 85 E HN 0.675 nan 8.360 nan 0.000 0.449 86 K N 3.511 123.779 120.400 -0.220 0.000 2.362 86 K HA -0.144 4.176 4.320 -0.000 0.000 0.200 86 K C 0.644 177.117 176.600 -0.212 0.000 1.046 86 K CA 1.582 57.779 56.287 -0.151 0.000 0.952 86 K CB 0.112 32.552 32.500 -0.100 0.000 0.753 86 K HN 0.485 nan 8.250 nan 0.000 0.466 87 D N 0.100 120.383 120.400 -0.195 0.000 2.349 87 D HA -0.138 4.501 4.640 -0.000 0.000 0.224 87 D C 0.739 176.709 176.300 -0.551 0.000 1.029 87 D CA 0.536 54.335 54.000 -0.336 0.000 0.879 87 D CB -0.151 40.536 40.800 -0.188 0.000 0.906 87 D HN 0.438 nan 8.370 nan 0.000 0.528 88 H N -0.336 118.691 119.070 -0.071 0.000 3.058 88 H HA 0.212 4.767 4.556 -0.000 0.000 0.266 88 H C 0.872 176.160 175.328 -0.067 0.000 1.135 88 H CA 0.450 56.467 56.048 -0.051 0.000 1.174 88 H CB 0.869 30.627 29.762 -0.008 0.000 1.581 88 H HN 0.237 nan 8.280 nan 0.000 0.553 89 S N -0.865 114.818 115.700 -0.028 0.000 2.847 89 S HA 0.165 4.635 4.470 -0.000 0.000 0.254 89 S C 1.793 176.294 174.600 -0.165 0.000 1.039 89 S CA 0.164 58.332 58.200 -0.053 0.000 1.113 89 S CB 0.202 63.416 63.200 0.023 0.000 1.092 89 S HN 0.220 nan 8.310 nan 0.000 0.620 90 G N 1.617 110.330 108.800 -0.145 0.000 2.744 90 G HA2 0.160 4.120 3.960 -0.000 0.000 0.211 90 G HA3 0.160 4.120 3.960 -0.000 0.000 0.211 90 G C 0.992 175.776 174.900 -0.193 0.000 1.143 90 G CA 0.968 45.966 45.100 -0.170 0.000 0.788 90 G HN 1.160 nan 8.290 nan 0.000 0.534 91 V N -2.274 117.542 119.914 -0.163 0.000 3.252 91 V HA 0.379 4.499 4.120 -0.000 0.000 0.320 91 V C 1.808 177.801 176.094 -0.167 0.000 1.459 91 V CA -0.149 62.079 62.300 -0.120 0.000 1.095 91 V CB 0.208 32.103 31.823 0.120 0.000 0.997 91 V HN 0.076 nan 8.190 nan 0.000 0.469 92 L N 0.936 122.006 121.223 -0.255 0.000 2.079 92 L HA -0.048 4.291 4.340 -0.000 0.000 0.210 92 L C 2.380 179.121 176.870 -0.215 0.000 1.081 92 L CA 2.666 57.374 54.840 -0.220 0.000 0.752 92 L CB -0.371 41.505 42.059 -0.304 0.000 0.896 92 L HN 0.264 nan 8.230 nan 0.000 0.433 93 V N -0.532 119.188 119.914 -0.324 0.000 2.548 93 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 93 V C 2.257 178.222 176.094 -0.214 0.000 1.055 93 V CA 1.906 64.084 62.300 -0.202 0.000 1.065 93 V CB -0.322 31.398 31.823 -0.173 0.000 0.681 93 V HN 0.686 nan 8.190 nan 0.000 0.462 94 E N -0.053 119.918 120.200 -0.382 0.000 2.112 94 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 94 E C 2.210 178.423 176.600 -0.645 0.000 0.979 94 E CA 1.178 57.153 56.400 -0.709 0.000 0.814 94 E CB -0.167 28.760 29.700 -1.288 0.000 0.762 94 E HN 0.531 nan 8.360 nan 0.000 0.460 95 L N 1.034 122.093 121.223 -0.274 0.000 1.989 95 L HA -0.235 4.104 4.340 -0.000 0.000 0.211 95 L C 2.823 179.741 176.870 0.080 0.000 1.071 95 L CA 1.562 56.459 54.840 0.095 0.000 0.749 95 L CB -0.489 41.702 42.059 0.219 0.000 0.890 95 L HN 0.321 nan 8.230 nan 0.000 0.431 96 H N -0.115 118.921 119.070 -0.056 0.000 2.421 96 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 96 H C 2.401 177.678 175.328 -0.085 0.000 1.087 96 H CA 1.530 57.546 56.048 -0.053 0.000 1.330 96 H CB 0.210 29.912 29.762 -0.100 0.000 1.388 96 H HN 0.225 nan 8.280 nan 0.000 0.526 97 R N 0.403 120.790 120.500 -0.188 0.000 2.092 97 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 97 R C 2.461 178.601 176.300 -0.266 0.000 1.119 97 R CA 1.353 57.309 56.100 -0.241 0.000 0.970 97 R CB -0.067 30.105 30.300 -0.214 0.000 0.864 97 R HN 0.163 nan 8.270 nan 0.000 0.440 98 R N -0.211 120.111 120.500 -0.295 0.000 2.073 98 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 98 R C -0.060 175.855 176.300 -0.643 0.000 1.120 98 R CA 1.327 57.146 56.100 -0.468 0.000 0.967 98 R CB 0.011 30.006 30.300 -0.508 0.000 0.862 98 R HN 0.058 nan 8.270 nan 0.000 0.436 99 F N 0.452 120.352 119.950 -0.084 0.000 2.366 99 F HA 0.405 4.932 4.527 -0.000 0.000 0.357 99 F C -1.801 173.884 175.800 -0.191 0.000 1.107 99 F CA -2.689 55.249 58.000 -0.104 0.000 1.208 99 F CB 1.784 40.747 39.000 -0.062 0.000 1.464 99 F HN -0.003 nan 8.300 nan 0.000 0.501 100 P HA -0.096 nan 4.420 nan 0.000 0.230 100 P C 0.874 178.092 177.300 -0.137 0.000 1.158 100 P CA 1.121 64.055 63.100 -0.277 0.000 0.769 100 P CB 0.339 31.912 31.700 -0.213 0.000 0.807 101 E N -0.839 119.336 120.200 -0.041 0.000 2.460 101 E HA 0.177 4.527 4.350 -0.000 0.000 0.200 101 E C 0.796 177.383 176.600 -0.021 0.000 1.011 101 E CA -0.028 56.357 56.400 -0.025 0.000 0.912 101 E CB -0.010 29.674 29.700 -0.027 0.000 0.953 101 E HN 0.095 nan 8.360 nan 0.000 0.494 102 A N 3.891 126.714 122.820 0.005 0.000 2.396 102 A HA 0.364 4.684 4.320 -0.000 0.000 0.279 102 A C -2.312 175.300 177.584 0.047 0.000 1.165 102 A CA -1.181 50.847 52.037 -0.015 0.000 0.824 102 A CB -0.105 18.876 19.000 -0.030 0.000 1.100 102 A HN -0.133 nan 8.150 nan 0.000 0.516 103 P HA 0.344 nan 4.420 nan 0.000 0.274 103 P C -0.720 176.602 177.300 0.036 0.000 1.237 103 P CA -0.168 62.931 63.100 -0.001 0.000 0.793 103 P CB 0.552 32.247 31.700 -0.008 0.000 0.977 104 I N 2.152 122.642 120.570 -0.133 0.000 2.321 104 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 104 I C -0.321 175.787 176.117 -0.016 0.000 0.998 104 I CA -0.325 60.956 61.300 -0.032 0.000 1.227 104 I CB 0.266 38.169 38.000 -0.161 0.000 1.368 104 I HN 0.255 nan 8.210 nan 0.000 0.466 105 Y N 5.991 126.308 120.300 0.029 0.000 2.341 105 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 105 Y C 0.440 176.295 175.900 -0.075 0.000 0.997 105 Y CA -0.388 57.671 58.100 -0.069 0.000 1.149 105 Y CB 1.113 39.483 38.460 -0.150 0.000 1.171 105 Y HN 0.733 nan 8.280 nan 0.000 0.494 106 C N -0.701 118.610 119.300 0.017 0.000 3.320 106 C HA 0.725 5.185 4.460 -0.000 0.000 0.335 106 C C 0.246 175.217 174.990 -0.031 0.000 1.430 106 C CA -1.039 57.994 59.018 0.024 0.000 1.271 106 C CB 0.888 28.691 27.740 0.105 0.000 1.609 106 C HN 0.842 nan 8.230 nan 0.000 0.457 107 T N -1.794 112.759 114.554 -0.002 0.000 2.726 107 T HA 0.274 4.624 4.350 -0.000 0.000 0.294 107 T C 0.754 175.444 174.700 -0.018 0.000 1.013 107 T CA 0.703 62.796 62.100 -0.012 0.000 0.996 107 T CB 0.632 69.508 68.868 0.014 0.000 1.016 107 T HN 0.954 nan 8.240 nan 0.000 0.529 108 E N -0.459 119.726 120.200 -0.025 0.000 2.106 108 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 108 E C 1.978 178.553 176.600 -0.041 0.000 0.984 108 E CA 0.717 57.093 56.400 -0.041 0.000 0.806 108 E CB -0.185 29.494 29.700 -0.034 0.000 0.750 108 E HN 0.517 nan 8.360 nan 0.000 0.458 109 V N 0.846 120.751 119.914 -0.015 0.000 2.427 109 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 109 V C 2.298 178.402 176.094 0.018 0.000 1.051 109 V CA 1.585 63.883 62.300 -0.003 0.000 1.048 109 V CB -0.525 31.306 31.823 0.013 0.000 0.666 109 V HN 0.418 nan 8.190 nan 0.000 0.456 110 A N -0.044 122.798 122.820 0.038 0.000 2.019 110 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 110 A C 2.347 179.932 177.584 0.002 0.000 1.164 110 A CA 1.968 54.046 52.037 0.067 0.000 0.644 110 A CB -0.538 18.519 19.000 0.095 0.000 0.805 110 A HN 0.378 nan 8.150 nan 0.000 0.449 111 V N 0.396 120.251 119.914 -0.098 0.000 2.270 111 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 111 V C 2.486 178.413 176.094 -0.278 0.000 1.043 111 V CA 2.067 64.181 62.300 -0.311 0.000 1.014 111 V CB -0.657 30.920 31.823 -0.411 0.000 0.645 111 V HN 0.408 nan 8.190 nan 0.000 0.447 112 K N 0.911 121.215 120.400 -0.160 0.000 2.063 112 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 112 K C 2.295 178.874 176.600 -0.034 0.000 1.048 112 K CA 1.652 57.877 56.287 -0.103 0.000 0.928 112 K CB -1.204 31.253 32.500 -0.072 0.000 0.713 112 K HN 0.544 nan 8.250 nan 0.000 0.442 113 G N 1.554 110.370 108.800 0.026 0.000 2.440 113 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 113 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 113 G C 1.457 176.492 174.900 0.226 0.000 1.154 113 G CA 0.383 45.566 45.100 0.140 0.000 0.767 113 G HN 0.107 nan 8.290 nan 0.000 0.552 114 L N -0.221 121.093 121.223 0.152 0.000 2.156 114 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 114 L C 2.727 179.735 176.870 0.229 0.000 1.095 114 L CA 0.756 55.742 54.840 0.244 0.000 0.770 114 L CB -0.918 41.291 42.059 0.251 0.000 0.914 114 L HN 0.102 nan 8.230 nan 0.000 0.439 115 L N -0.462 120.799 121.223 0.064 0.000 2.056 115 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 115 L C 2.425 179.301 176.870 0.009 0.000 1.078 115 L CA 1.443 56.301 54.840 0.030 0.000 0.749 115 L CB -0.854 41.157 42.059 -0.080 0.000 0.901 115 L HN 0.135 nan 8.230 nan 0.000 0.433 116 K N -1.270 119.114 120.400 -0.027 0.000 2.211 116 K HA -0.148 4.171 4.320 -0.000 0.000 0.203 116 K C 2.066 178.535 176.600 -0.218 0.000 1.050 116 K CA 1.362 57.584 56.287 -0.109 0.000 0.945 116 K CB -0.148 32.275 32.500 -0.129 0.000 0.732 116 K HN 0.429 nan 8.250 nan 0.000 0.451 117 H N -2.287 116.635 119.070 -0.246 0.000 2.384 117 H HA 0.099 4.655 4.556 -0.000 0.000 0.300 117 H C -0.250 174.649 175.328 -0.714 0.000 1.057 117 H CA 1.334 57.026 56.048 -0.593 0.000 1.370 117 H CB 0.281 29.466 29.762 -0.961 0.000 1.417 117 H HN 0.029 nan 8.280 nan 0.000 0.527 118 Y N -1.069 119.307 120.300 0.126 0.000 2.609 118 Y HA 0.278 4.827 4.550 -0.000 0.000 0.350 118 Y C -2.112 173.818 175.900 0.050 0.000 1.050 118 Y CA -2.733 55.408 58.100 0.069 0.000 1.290 118 Y CB 1.188 39.686 38.460 0.063 0.000 1.094 118 Y HN 0.052 nan 8.280 nan 0.000 0.583 119 P HA -0.144 nan 4.420 nan 0.000 0.225 119 P C 1.487 178.836 177.300 0.083 0.000 1.148 119 P CA 1.568 64.712 63.100 0.074 0.000 0.779 119 P CB 0.306 32.025 31.700 0.030 0.000 0.780 120 S N -0.640 115.118 115.700 0.097 0.000 2.474 120 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 120 S C 1.453 176.093 174.600 0.068 0.000 0.997 120 S CA 0.732 58.976 58.200 0.073 0.000 0.949 120 S CB -1.394 61.844 63.200 0.064 0.000 0.766 120 S HN 0.148 nan 8.310 nan 0.000 0.517 121 L N 2.225 123.502 121.223 0.090 0.000 2.718 121 L HA 0.199 4.538 4.340 -0.000 0.000 0.242 121 L C 2.331 179.295 176.870 0.157 0.000 1.203 121 L CA -0.262 54.611 54.840 0.054 0.000 1.011 121 L CB -0.432 41.714 42.059 0.146 0.000 1.250 121 L HN 0.426 nan 8.230 nan 0.000 0.437 122 R N -0.163 120.403 120.500 0.110 0.000 2.081 122 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 122 R C 1.193 177.556 176.300 0.104 0.000 1.131 122 R CA 1.415 57.580 56.100 0.108 0.000 0.960 122 R CB -0.311 30.027 30.300 0.063 0.000 0.856 122 R HN 0.404 nan 8.270 nan 0.000 0.436 123 E N 0.834 121.071 120.200 0.062 0.000 2.474 123 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 123 E C -0.036 176.568 176.600 0.007 0.000 1.039 123 E CA -0.078 56.352 56.400 0.051 0.000 0.881 123 E CB 0.686 30.423 29.700 0.062 0.000 0.970 123 E HN 0.409 nan 8.360 nan 0.000 0.486 124 A N 1.872 124.596 122.820 -0.160 0.000 2.483 124 A HA -0.022 4.297 4.320 -0.000 0.000 0.238 124 A C 0.115 177.492 177.584 -0.344 0.000 1.070 124 A CA 0.051 51.816 52.037 -0.452 0.000 0.770 124 A CB 0.190 18.518 19.000 -1.120 0.000 1.008 124 A HN 0.138 nan 8.150 nan 0.000 0.497 125 E N 0.970 121.006 120.200 -0.273 0.000 2.180 125 E HA 0.404 4.754 4.350 -0.000 0.000 0.283 125 E C -1.402 174.976 176.600 -0.370 0.000 1.061 125 E CA -0.059 56.227 56.400 -0.189 0.000 0.861 125 E CB 0.266 29.914 29.700 -0.086 0.000 1.056 125 E HN 0.455 nan 8.360 nan 0.000 0.407 126 F N 3.563 123.455 119.950 -0.096 0.000 2.422 126 F HA 0.362 4.889 4.527 -0.000 0.000 0.333 126 F C 0.367 176.051 175.800 -0.193 0.000 1.095 126 F CA -0.914 57.007 58.000 -0.131 0.000 1.038 126 F CB 1.338 40.280 39.000 -0.096 0.000 1.156 126 F HN 0.375 nan 8.300 nan 0.000 0.483 127 M N 3.040 122.556 119.600 -0.140 0.000 2.016 127 M HA 0.278 4.757 4.480 -0.000 0.000 0.315 127 M C -0.457 175.706 176.300 -0.229 0.000 0.930 127 M CA -0.062 55.038 55.300 -0.333 0.000 0.899 127 M CB 0.607 32.651 32.600 -0.926 0.000 1.401 127 M HN 0.491 nan 8.290 nan 0.000 0.386 128 T N 3.359 117.853 114.554 -0.101 0.000 2.934 128 T HA 0.393 4.743 4.350 -0.000 0.000 0.306 128 T C -0.428 174.222 174.700 -0.084 0.000 1.042 128 T CA 0.143 62.199 62.100 -0.073 0.000 1.145 128 T CB -0.069 68.773 68.868 -0.044 0.000 0.982 128 T HN 0.596 nan 8.240 nan 0.000 0.544 129 V N 1.618 121.476 119.914 -0.095 0.000 2.925 129 V HA 0.927 5.047 4.120 -0.000 0.000 0.311 129 V C -0.733 175.346 176.094 -0.025 0.000 1.104 129 V CA -1.375 60.873 62.300 -0.086 0.000 0.954 129 V CB 2.182 33.823 31.823 -0.305 0.000 1.022 129 V HN 0.926 nan 8.190 nan 0.000 0.427 130 K N 0.649 121.071 120.400 0.037 0.000 2.378 130 K HA 0.681 5.001 4.320 -0.000 0.000 0.244 130 K C -0.323 176.341 176.600 0.107 0.000 1.039 130 K CA -0.538 55.783 56.287 0.056 0.000 0.863 130 K CB 1.514 34.036 32.500 0.037 0.000 1.326 130 K HN 0.609 nan 8.250 nan 0.000 0.460 131 T N 0.870 115.476 114.554 0.087 0.000 2.800 131 T HA 0.250 4.600 4.350 -0.000 0.000 0.283 131 T C 1.107 175.867 174.700 0.100 0.000 0.999 131 T CA 1.672 63.831 62.100 0.097 0.000 1.176 131 T CB -0.245 68.658 68.868 0.058 0.000 0.973 131 T HN 0.954 nan 8.240 nan 0.000 0.519 132 G N 3.658 112.530 108.800 0.119 0.000 2.259 132 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 132 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 132 G C -0.023 174.949 174.900 0.119 0.000 1.001 132 G CA -0.295 44.863 45.100 0.096 0.000 0.627 132 G HN 0.683 nan 8.290 nan 0.000 0.501 133 D N 0.609 121.121 120.400 0.187 0.000 2.423 133 D HA 0.410 5.050 4.640 -0.000 0.000 0.238 133 D C 0.155 176.623 176.300 0.279 0.000 1.142 133 D CA 0.757 54.907 54.000 0.250 0.000 0.884 133 D CB 1.866 42.850 40.800 0.306 0.000 1.199 133 D HN 0.188 nan 8.370 nan 0.000 0.438 134 V N 3.218 123.249 119.914 0.196 0.000 2.638 134 V HA 0.227 4.347 4.120 -0.000 0.000 0.306 134 V C -0.348 175.784 176.094 0.064 0.000 1.052 134 V CA -0.890 61.439 62.300 0.047 0.000 0.885 134 V CB 2.030 33.859 31.823 0.010 0.000 0.999 134 V HN 0.293 nan 8.190 nan 0.000 0.424 135 L N 3.915 125.091 121.223 -0.079 0.000 2.296 135 L HA 0.689 5.029 4.340 -0.000 0.000 0.286 135 L C -0.546 176.200 176.870 -0.206 0.000 1.023 135 L CA 0.073 54.812 54.840 -0.170 0.000 0.812 135 L CB 1.433 43.274 42.059 -0.363 0.000 1.223 135 L HN 0.731 nan 8.230 nan 0.000 0.421 136 D N 3.843 124.146 120.400 -0.162 0.000 2.232 136 D HA 0.316 4.955 4.640 -0.000 0.000 0.242 136 D C 0.336 176.563 176.300 -0.122 0.000 1.093 136 D CA -0.005 53.930 54.000 -0.109 0.000 0.845 136 D CB 0.954 41.728 40.800 -0.043 0.000 1.124 136 D HN 0.637 nan 8.370 nan 0.000 0.467 137 L N 2.696 123.868 121.223 -0.084 0.000 2.766 137 L HA 0.425 4.765 4.340 -0.000 0.000 0.242 137 L C 0.833 177.716 176.870 0.022 0.000 1.136 137 L CA -0.041 54.787 54.840 -0.020 0.000 0.933 137 L CB 0.234 42.277 42.059 -0.028 0.000 1.241 137 L HN 0.704 nan 8.230 nan 0.000 0.522 138 G N -0.043 108.761 108.800 0.007 0.000 2.780 138 G HA2 0.153 4.113 3.960 -0.000 0.000 0.364 138 G HA3 0.153 4.113 3.960 -0.000 0.000 0.364 138 G C 0.644 175.550 174.900 0.008 0.000 1.045 138 G CA -0.169 44.940 45.100 0.015 0.000 1.202 138 G HN 0.494 nan 8.290 nan 0.000 0.534 139 G N 0.949 109.749 108.800 0.001 0.000 2.498 139 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.229 139 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.229 139 G C 0.540 175.434 174.900 -0.010 0.000 1.156 139 G CA 1.035 46.134 45.100 -0.002 0.000 0.680 139 G HN 1.189 nan 8.290 nan 0.000 0.512 140 K N 1.850 122.242 120.400 -0.013 0.000 2.185 140 K HA 0.566 4.886 4.320 -0.000 0.000 0.269 140 K C -0.319 176.249 176.600 -0.054 0.000 0.987 140 K CA 0.301 56.573 56.287 -0.025 0.000 0.865 140 K CB 1.726 34.219 32.500 -0.012 0.000 1.090 140 K HN 0.456 nan 8.250 nan 0.000 0.450 141 T N 0.562 115.076 114.554 -0.067 0.000 2.841 141 T HA 0.384 4.734 4.350 -0.000 0.000 0.285 141 T C -0.604 174.009 174.700 -0.144 0.000 0.991 141 T CA -0.974 61.063 62.100 -0.105 0.000 0.966 141 T CB 0.612 69.432 68.868 -0.079 0.000 0.962 141 T HN 0.101 nan 8.240 nan 0.000 0.438 142 L N 3.541 124.618 121.223 -0.242 0.000 2.281 142 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 142 L C 0.834 177.390 176.870 -0.523 0.000 1.074 142 L CA 0.124 54.736 54.840 -0.380 0.000 0.817 142 L CB 1.014 42.740 42.059 -0.555 0.000 1.168 142 L HN 0.832 nan 8.230 nan 0.000 0.434 143 T N 4.636 118.962 114.554 -0.380 0.000 2.767 143 T HA 0.503 4.852 4.350 -0.000 0.000 0.288 143 T C -0.206 174.302 174.700 -0.320 0.000 0.963 143 T CA -0.117 61.810 62.100 -0.288 0.000 1.019 143 T CB 0.027 68.842 68.868 -0.089 0.000 0.923 143 T HN 0.085 nan 8.240 nan 0.000 0.468 144 F N 3.344 123.335 119.950 0.069 0.000 2.404 144 F HA 0.563 5.089 4.527 -0.000 0.000 0.345 144 F C 0.118 175.973 175.800 0.092 0.000 1.110 144 F CA -1.096 56.960 58.000 0.094 0.000 1.130 144 F CB 0.861 39.914 39.000 0.089 0.000 1.129 144 F HN 0.251 nan 8.300 nan 0.000 0.500 145 L N 3.593 124.986 121.223 0.282 0.000 2.372 145 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 145 L C -0.502 176.407 176.870 0.065 0.000 0.988 145 L CA -0.449 54.487 54.840 0.160 0.000 0.833 145 L CB 1.278 43.437 42.059 0.166 0.000 1.236 145 L HN 0.543 nan 8.230 nan 0.000 0.410 146 E N 2.400 122.618 120.200 0.029 0.000 2.376 146 E HA 0.273 4.623 4.350 -0.000 0.000 0.266 146 E C -0.310 176.202 176.600 -0.147 0.000 1.009 146 E CA 0.459 56.840 56.400 -0.031 0.000 0.902 146 E CB 0.601 30.296 29.700 -0.008 0.000 0.972 146 E HN 0.657 nan 8.360 nan 0.000 0.439 147 T N 1.067 115.502 114.554 -0.198 0.000 3.410 147 T HA 0.304 4.654 4.350 -0.000 0.000 0.328 147 T C -2.636 171.980 174.700 -0.141 0.000 1.567 147 T CA -2.079 59.856 62.100 -0.274 0.000 1.626 147 T CB 0.687 69.199 68.868 -0.594 0.000 0.939 147 T HN 0.135 nan 8.240 nan 0.000 0.656 148 P HA 0.184 nan 4.420 nan 0.000 0.274 148 P C 1.086 178.366 177.300 -0.034 0.000 1.231 148 P CA -0.476 62.602 63.100 -0.037 0.000 0.790 148 P CB 0.782 32.465 31.700 -0.029 0.000 0.951 149 L N -0.127 121.091 121.223 -0.008 0.000 3.905 149 L HA -0.205 4.135 4.340 -0.000 0.000 0.437 149 L C -0.545 176.337 176.870 0.021 0.000 1.152 149 L CA 0.739 55.579 54.840 -0.000 0.000 0.935 149 L CB -0.793 41.252 42.059 -0.024 0.000 1.841 149 L HN 0.368 nan 8.230 nan 0.000 0.998 150 L N -1.209 120.029 121.223 0.026 0.000 2.409 150 L HA 0.210 4.550 4.340 -0.000 0.000 0.262 150 L C 0.643 177.538 176.870 0.042 0.000 1.346 150 L CA -0.006 54.856 54.840 0.036 0.000 0.848 150 L CB 0.324 42.348 42.059 -0.059 0.000 1.006 150 L HN 0.251 nan 8.230 nan 0.000 0.505 151 H N 0.920 119.978 119.070 -0.020 0.000 2.553 151 H HA 0.143 4.699 4.556 -0.000 0.000 0.276 151 H C -0.643 174.897 175.328 0.352 0.000 0.979 151 H CA 0.147 56.265 56.048 0.116 0.000 1.268 151 H CB 0.470 30.310 29.762 0.130 0.000 1.450 151 H HN 0.421 nan 8.280 nan 0.000 0.527 152 W N 0.613 121.726 121.300 -0.311 0.000 2.655 152 W HA 0.329 4.989 4.660 -0.000 0.000 0.358 152 W C -1.755 174.708 176.519 -0.094 0.000 1.100 152 W CA -2.941 54.284 57.345 -0.201 0.000 1.195 152 W CB 0.495 29.949 29.460 -0.009 0.000 1.403 152 W HN -0.073 nan 8.180 nan 0.000 0.589 153 P HA -0.163 nan 4.420 nan 0.000 0.221 153 P C 0.578 177.929 177.300 0.085 0.000 1.145 153 P CA 1.904 65.035 63.100 0.053 0.000 0.795 153 P CB 0.224 31.921 31.700 -0.005 0.000 0.775 154 D N -2.431 118.075 120.400 0.176 0.000 2.305 154 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 154 D C 0.414 176.795 176.300 0.135 0.000 0.974 154 D CA 0.129 54.230 54.000 0.169 0.000 0.871 154 D CB -0.686 40.271 40.800 0.262 0.000 0.947 154 D HN -0.066 nan 8.370 nan 0.000 0.516 155 S N 0.226 115.989 115.700 0.104 0.000 2.573 155 S HA 0.392 4.862 4.470 -0.000 0.000 0.277 155 S C 0.310 174.918 174.600 0.013 0.000 1.346 155 S CA -0.232 57.981 58.200 0.022 0.000 1.034 155 S CB 0.369 63.502 63.200 -0.111 0.000 0.879 155 S HN 0.453 nan 8.310 nan 0.000 0.528 156 M N 0.184 119.820 119.600 0.061 0.000 2.578 156 M HA 0.670 5.150 4.480 -0.000 0.000 0.276 156 M C -1.821 174.638 176.300 0.265 0.000 1.245 156 M CA -0.902 54.446 55.300 0.080 0.000 0.871 156 M CB 1.117 33.805 32.600 0.147 0.000 1.722 156 M HN 0.282 nan 8.290 nan 0.000 0.473 157 F N 0.451 120.499 119.950 0.164 0.000 2.380 157 F HA 0.729 5.256 4.527 -0.000 0.000 0.321 157 F C 0.240 176.176 175.800 0.226 0.000 1.103 157 F CA -0.889 57.221 58.000 0.183 0.000 1.067 157 F CB 1.887 40.981 39.000 0.156 0.000 1.265 157 F HN 0.606 nan 8.300 nan 0.000 0.517 158 T N 3.532 118.340 114.554 0.423 0.000 2.847 158 T HA 0.570 4.920 4.350 -0.000 0.000 0.291 158 T C -0.728 174.135 174.700 0.271 0.000 0.998 158 T CA -0.454 61.802 62.100 0.259 0.000 0.967 158 T CB 0.932 69.905 68.868 0.175 0.000 0.954 158 T HN 0.082 nan 8.240 nan 0.000 0.441 159 L N 3.373 124.653 121.223 0.095 0.000 2.309 159 L HA 0.546 4.886 4.340 -0.000 0.000 0.282 159 L C -0.385 176.490 176.870 0.009 0.000 1.036 159 L CA -0.719 54.147 54.840 0.043 0.000 0.806 159 L CB 1.103 43.174 42.059 0.019 0.000 1.220 159 L HN 0.414 nan 8.230 nan 0.000 0.429 160 L N 2.636 123.859 121.223 -0.001 0.000 2.335 160 L HA 0.320 4.660 4.340 -0.000 0.000 0.268 160 L C 0.745 177.580 176.870 -0.058 0.000 1.037 160 L CA 0.230 55.064 54.840 -0.010 0.000 0.895 160 L CB 0.394 42.485 42.059 0.052 0.000 1.266 160 L HN 0.600 nan 8.230 nan 0.000 0.439 161 D N 0.789 121.157 120.400 -0.053 0.000 2.178 161 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 161 D C 1.617 177.886 176.300 -0.052 0.000 0.974 161 D CA 1.145 55.114 54.000 -0.052 0.000 0.841 161 D CB 0.619 41.396 40.800 -0.038 0.000 0.953 161 D HN 0.615 nan 8.370 nan 0.000 0.478 162 E N -0.183 119.989 120.200 -0.046 0.000 2.047 162 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 162 E C 1.051 177.619 176.600 -0.053 0.000 0.987 162 E CA 0.959 57.333 56.400 -0.044 0.000 0.799 162 E CB 0.044 29.724 29.700 -0.034 0.000 0.752 162 E HN 0.255 nan 8.360 nan 0.000 0.449 163 D N -1.046 119.319 120.400 -0.059 0.000 2.363 163 D HA 0.012 4.651 4.640 -0.000 0.000 0.220 163 D C 0.836 177.071 176.300 -0.108 0.000 0.994 163 D CA 0.826 54.780 54.000 -0.076 0.000 0.890 163 D CB 0.150 40.908 40.800 -0.070 0.000 0.906 163 D HN 0.336 nan 8.370 nan 0.000 0.530 164 G N 0.621 109.355 108.800 -0.110 0.000 2.225 164 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.267 164 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.267 164 G C 0.217 174.999 174.900 -0.198 0.000 1.024 164 G CA 0.163 45.183 45.100 -0.134 0.000 0.784 164 G HN 0.385 nan 8.290 nan 0.000 0.507 165 I N -0.145 120.276 120.570 -0.247 0.000 2.353 165 I HA 0.516 4.686 4.170 -0.000 0.000 0.293 165 I C 0.165 175.983 176.117 -0.499 0.000 0.992 165 I CA -1.077 59.965 61.300 -0.430 0.000 1.268 165 I CB 1.516 39.176 38.000 -0.567 0.000 1.387 165 I HN 0.053 nan 8.210 nan 0.000 0.478 166 L N 7.527 128.429 121.223 -0.536 0.000 2.296 166 L HA 0.504 4.844 4.340 -0.000 0.000 0.286 166 L C -1.208 175.309 176.870 -0.589 0.000 1.023 166 L CA 0.061 54.638 54.840 -0.437 0.000 0.812 166 L CB 0.782 42.639 42.059 -0.336 0.000 1.223 166 L HN 0.260 nan 8.230 nan 0.000 0.421 167 F N 3.796 123.638 119.950 -0.179 0.000 2.334 167 F HA 0.270 4.797 4.527 -0.000 0.000 0.365 167 F C 1.384 177.115 175.800 -0.114 0.000 1.124 167 F CA -0.225 57.688 58.000 -0.147 0.000 1.166 167 F CB 0.780 39.740 39.000 -0.067 0.000 1.355 167 F HN 0.661 nan 8.300 nan 0.000 0.532 168 S N 0.657 116.310 115.700 -0.078 0.000 2.575 168 S HA 0.080 4.550 4.470 -0.000 0.000 0.215 168 S C 0.973 175.636 174.600 0.106 0.000 0.966 168 S CA 0.189 58.191 58.200 -0.330 0.000 0.911 168 S CB -0.689 62.342 63.200 -0.282 0.000 0.780 168 S HN 0.773 nan 8.310 nan 0.000 0.514 169 N N 2.046 120.856 118.700 0.183 0.000 1.241 169 N HA -0.274 4.466 4.740 -0.000 0.000 0.135 169 N C 0.127 175.718 175.510 0.134 0.000 0.723 169 N CA 2.171 55.301 53.050 0.134 0.000 0.950 169 N CB -1.446 37.130 38.487 0.148 0.000 1.215 169 N HN 0.236 nan 8.380 nan 0.000 0.520 170 D N 0.141 120.667 120.400 0.211 0.000 2.144 170 D HA 0.082 4.722 4.640 -0.000 0.000 0.200 170 D C 0.470 176.974 176.300 0.340 0.000 0.978 170 D CA 1.259 55.492 54.000 0.389 0.000 0.833 170 D CB -0.771 40.346 40.800 0.527 0.000 0.961 170 D HN 0.629 nan 8.370 nan 0.000 0.470 171 A N -0.259 122.710 122.820 0.247 0.000 2.565 171 A HA 0.120 4.440 4.320 -0.000 0.000 0.237 171 A C 0.195 177.721 177.584 -0.096 0.000 1.053 171 A CA 0.051 52.108 52.037 0.033 0.000 0.755 171 A CB -0.639 18.303 19.000 -0.097 0.000 0.980 171 A HN 0.363 nan 8.150 nan 0.000 0.506 172 F N -0.565 119.462 119.950 0.129 0.000 2.871 172 F HA -0.254 4.273 4.527 -0.000 0.000 0.326 172 F C 1.331 177.225 175.800 0.158 0.000 0.675 172 F CA 0.547 58.514 58.000 -0.055 0.000 1.188 172 F CB -1.771 37.051 39.000 -0.297 0.000 1.567 172 F HN 0.916 nan 8.300 nan 0.000 0.325 173 G N -0.188 108.540 108.800 -0.120 0.000 2.599 173 G HA2 0.578 4.538 3.960 -0.000 0.000 0.264 173 G HA3 0.578 4.538 3.960 -0.000 0.000 0.264 173 G C -0.489 173.902 174.900 -0.847 0.000 1.200 173 G CA -0.183 44.609 45.100 -0.513 0.000 0.896 173 G HN 0.195 nan 8.290 nan 0.000 0.536 174 Q N -1.007 118.463 119.800 -0.549 0.000 2.377 174 Q HA 0.329 4.668 4.340 -0.000 0.000 0.279 174 Q C -1.186 174.692 176.000 -0.203 0.000 1.049 174 Q CA -0.796 54.857 55.803 -0.249 0.000 0.825 174 Q CB 1.711 30.451 28.738 0.002 0.000 1.401 174 Q HN 0.568 nan 8.270 nan 0.000 0.404 175 H N 1.946 121.083 119.070 0.110 0.000 2.914 175 H HA 0.431 4.987 4.556 -0.000 0.000 0.264 175 H C -0.843 174.488 175.328 0.006 0.000 1.433 175 H CA 0.088 56.138 56.048 0.005 0.000 1.342 175 H CB -0.242 29.505 29.762 -0.025 0.000 1.582 175 H HN 0.391 nan 8.280 nan 0.000 0.525 176 L N 1.318 122.564 121.223 0.038 0.000 2.422 176 L HA 0.312 4.652 4.340 -0.000 0.000 0.264 176 L C -0.318 176.492 176.870 -0.100 0.000 0.984 176 L CA -0.724 54.112 54.840 -0.006 0.000 0.819 176 L CB 2.776 44.819 42.059 -0.027 0.000 1.330 176 L HN 0.414 nan 8.230 nan 0.000 0.410 177 C N 2.828 122.053 119.300 -0.125 0.000 2.317 177 C HA 0.704 5.163 4.460 -0.000 0.000 0.306 177 C C -0.090 174.721 174.990 -0.298 0.000 1.087 177 C CA -0.605 58.225 59.018 -0.313 0.000 1.529 177 C CB -1.221 26.258 27.740 -0.435 0.000 1.880 177 C HN 0.856 nan 8.230 nan 0.000 0.417 178 C N 6.314 125.452 119.300 -0.269 0.000 2.529 178 C HA 0.526 4.985 4.460 -0.000 0.000 0.329 178 C C -0.980 173.917 174.990 -0.155 0.000 1.194 178 C CA -0.921 58.027 59.018 -0.116 0.000 1.779 178 C CB 1.726 29.413 27.740 -0.089 0.000 2.322 178 C HN 0.624 nan 8.230 nan 0.000 0.500 179 P HA -0.060 nan 4.420 nan 0.000 0.221 179 P C -0.173 177.068 177.300 -0.098 0.000 1.150 179 P CA 1.209 64.338 63.100 0.049 0.000 0.800 179 P CB 0.115 31.908 31.700 0.155 0.000 0.787 180 Q N -0.567 119.165 119.800 -0.112 0.000 2.261 180 Q HA 0.252 4.592 4.340 -0.000 0.000 0.252 180 Q C 1.199 177.043 176.000 -0.261 0.000 0.915 180 Q CA -0.014 55.694 55.803 -0.158 0.000 0.915 180 Q CB 0.694 29.366 28.738 -0.109 0.000 1.204 180 Q HN -0.018 nan 8.270 nan 0.000 0.421 181 R N 1.271 121.585 120.500 -0.309 0.000 2.290 181 R HA 0.239 4.579 4.340 -0.000 0.000 0.197 181 R C -0.051 176.067 176.300 -0.303 0.000 0.913 181 R CA 0.214 56.068 56.100 -0.410 0.000 1.040 181 R CB 0.207 30.183 30.300 -0.540 0.000 0.992 181 R HN 0.514 nan 8.270 nan 0.000 0.500 182 L N 2.159 123.241 121.223 -0.235 0.000 2.334 182 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 182 L C 1.385 178.110 176.870 -0.243 0.000 1.036 182 L CA -0.626 54.085 54.840 -0.215 0.000 0.807 182 L CB 1.392 43.361 42.059 -0.150 0.000 1.231 182 L HN 0.016 nan 8.230 nan 0.000 0.438 183 D N 1.990 122.208 120.400 -0.304 0.000 2.158 183 D HA -0.261 4.379 4.640 -0.000 0.000 0.197 183 D C 1.531 177.729 176.300 -0.169 0.000 0.995 183 D CA 1.614 55.404 54.000 -0.349 0.000 0.846 183 D CB -0.091 40.455 40.800 -0.424 0.000 0.941 183 D HN 0.672 nan 8.370 nan 0.000 0.456 184 R N 0.417 120.852 120.500 -0.109 0.000 2.275 184 R HA 0.158 4.497 4.340 -0.000 0.000 0.199 184 R C 1.516 177.783 176.300 -0.054 0.000 0.989 184 R CA 0.547 56.613 56.100 -0.056 0.000 1.016 184 R CB -0.410 29.866 30.300 -0.040 0.000 0.918 184 R HN 0.160 nan 8.270 nan 0.000 0.473 185 E N 1.314 121.467 120.200 -0.078 0.000 2.489 185 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 185 E C 0.473 177.043 176.600 -0.050 0.000 1.057 185 E CA 0.117 56.479 56.400 -0.064 0.000 0.866 185 E CB 0.204 29.855 29.700 -0.082 0.000 0.916 185 E HN 0.521 nan 8.360 nan 0.000 0.500 186 I N -2.936 117.603 120.570 -0.051 0.000 3.002 186 I HA 0.548 4.718 4.170 -0.000 0.000 0.310 186 I C -2.730 173.389 176.117 0.005 0.000 1.087 186 I CA -3.205 58.080 61.300 -0.026 0.000 1.017 186 I CB 1.375 39.348 38.000 -0.044 0.000 1.226 186 I HN -0.347 nan 8.210 nan 0.000 0.443 187 P HA 0.060 nan 4.420 nan 0.000 0.266 187 P C -0.075 177.279 177.300 0.090 0.000 1.195 187 P CA 0.041 63.184 63.100 0.071 0.000 0.768 187 P CB 0.603 32.363 31.700 0.099 0.000 0.838 188 E N 1.642 121.907 120.200 0.108 0.000 2.208 188 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 188 E C 1.555 178.246 176.600 0.152 0.000 0.988 188 E CA 1.151 57.622 56.400 0.118 0.000 0.828 188 E CB -0.955 28.811 29.700 0.111 0.000 0.763 188 E HN 0.530 nan 8.360 nan 0.000 0.478 189 Y N 1.197 121.548 120.300 0.086 0.000 2.163 189 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 189 Y C 1.840 177.808 175.900 0.113 0.000 1.136 189 Y CA 1.761 59.922 58.100 0.102 0.000 1.147 189 Y CB -0.026 38.483 38.460 0.082 0.000 0.987 189 Y HN 0.009 nan 8.280 nan 0.000 0.509 190 I N -0.058 120.624 120.570 0.186 0.000 2.127 190 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 190 I C 2.426 178.562 176.117 0.033 0.000 1.075 190 I CA 1.423 62.790 61.300 0.111 0.000 1.334 190 I CB -1.521 36.552 38.000 0.121 0.000 1.040 190 I HN 0.377 nan 8.210 nan 0.000 0.405 191 L N 0.699 121.947 121.223 0.041 0.000 1.971 191 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 191 L C 2.511 179.471 176.870 0.149 0.000 1.072 191 L CA 2.083 56.948 54.840 0.041 0.000 0.758 191 L CB -0.575 41.484 42.059 0.001 0.000 0.889 191 L HN 0.100 nan 8.230 nan 0.000 0.433 192 M N -1.012 118.683 119.600 0.159 0.000 2.175 192 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 192 M C 2.068 178.480 176.300 0.186 0.000 1.063 192 M CA 1.575 57.030 55.300 0.258 0.000 1.119 192 M CB -1.543 31.184 32.600 0.212 0.000 1.377 192 M HN 0.386 nan 8.290 nan 0.000 0.415 193 D N 0.468 120.834 120.400 -0.056 0.000 2.097 193 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 193 D C 1.908 178.249 176.300 0.067 0.000 0.989 193 D CA 1.807 55.745 54.000 -0.103 0.000 0.827 193 D CB 0.126 40.712 40.800 -0.356 0.000 0.966 193 D HN 0.278 nan 8.370 nan 0.000 0.456 194 A N 0.089 122.979 122.820 0.116 0.000 1.969 194 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 194 A C 2.262 180.023 177.584 0.295 0.000 1.169 194 A CA 1.929 54.089 52.037 0.204 0.000 0.635 194 A CB -0.744 18.355 19.000 0.166 0.000 0.810 194 A HN 0.318 nan 8.150 nan 0.000 0.445 195 A N -0.340 122.680 122.820 0.333 0.000 1.930 195 A HA -0.032 4.287 4.320 -0.000 0.000 0.215 195 A C 2.190 179.992 177.584 0.363 0.000 1.176 195 A CA 1.352 53.685 52.037 0.494 0.000 0.632 195 A CB -0.427 19.008 19.000 0.726 0.000 0.819 195 A HN 0.545 nan 8.150 nan 0.000 0.445 196 R N 0.104 120.692 120.500 0.147 0.000 2.080 196 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 196 R C 2.253 178.434 176.300 -0.199 0.000 1.137 196 R CA 2.035 57.903 56.100 -0.386 0.000 0.943 196 R CB -0.297 29.937 30.300 -0.109 0.000 0.846 196 R HN 0.481 nan 8.270 nan 0.000 0.431 197 K N -0.588 119.835 120.400 0.040 0.000 2.057 197 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 197 K C 1.967 178.711 176.600 0.240 0.000 1.049 197 K CA 1.620 57.958 56.287 0.085 0.000 0.931 197 K CB -0.236 32.331 32.500 0.112 0.000 0.714 197 K HN 0.165 nan 8.250 nan 0.000 0.440 198 F N 0.365 120.464 119.950 0.248 0.000 2.102 198 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 198 F C 2.157 178.018 175.800 0.102 0.000 1.105 198 F CA 1.631 59.801 58.000 0.283 0.000 1.239 198 F CB -0.442 38.700 39.000 0.237 0.000 0.991 198 F HN 0.090 nan 8.300 nan 0.000 0.474 199 Y N 0.512 120.900 120.300 0.147 0.000 2.053 199 Y HA -0.349 4.201 4.550 -0.000 0.000 0.277 199 Y C 2.471 178.229 175.900 -0.237 0.000 1.159 199 Y CA 2.089 60.092 58.100 -0.163 0.000 1.125 199 Y CB -0.929 37.213 38.460 -0.531 0.000 0.969 199 Y HN 0.107 nan 8.280 nan 0.000 0.492 200 A N 0.303 123.103 122.820 -0.034 0.000 1.917 200 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 200 A C 2.028 179.523 177.584 -0.149 0.000 1.182 200 A CA 2.217 54.222 52.037 -0.053 0.000 0.633 200 A CB -0.792 18.203 19.000 -0.009 0.000 0.819 200 A HN 0.681 nan 8.150 nan 0.000 0.448 201 N N -1.160 117.486 118.700 -0.090 0.000 2.415 201 N HA 0.136 4.876 4.740 -0.000 0.000 0.176 201 N C 1.311 176.742 175.510 -0.131 0.000 1.042 201 N CA 0.958 53.983 53.050 -0.042 0.000 0.902 201 N CB 0.225 38.793 38.487 0.135 0.000 0.986 201 N HN 0.477 nan 8.380 nan 0.000 0.447 202 L N -0.356 120.699 121.223 -0.279 0.000 2.766 202 L HA 0.257 4.596 4.340 -0.000 0.000 0.241 202 L C 1.349 177.977 176.870 -0.403 0.000 1.080 202 L CA 0.137 54.746 54.840 -0.386 0.000 0.909 202 L CB 0.472 42.128 42.059 -0.672 0.000 1.277 202 L HN -0.042 nan 8.230 nan 0.000 0.510 203 I N -0.867 119.365 120.570 -0.563 0.000 3.708 203 I HA 0.018 4.188 4.170 -0.000 0.000 0.302 203 I C 2.217 177.930 176.117 -0.674 0.000 1.255 203 I CA 0.645 61.515 61.300 -0.717 0.000 1.362 203 I CB -0.854 36.417 38.000 -1.215 0.000 1.100 203 I HN 0.084 nan 8.210 nan 0.000 0.434 204 T N 3.719 117.909 114.554 -0.607 0.000 2.624 204 T HA -0.099 4.250 4.350 -0.000 0.000 0.268 204 T C -0.420 174.105 174.700 -0.292 0.000 1.041 204 T CA 1.887 63.748 62.100 -0.398 0.000 1.159 204 T CB -1.510 66.993 68.868 -0.607 0.000 0.863 204 T HN 0.283 nan 8.240 nan 0.000 0.434 205 P HA 0.092 nan 4.420 nan 0.000 0.234 205 P C 0.892 178.120 177.300 -0.119 0.000 1.167 205 P CA 0.814 63.804 63.100 -0.184 0.000 0.763 205 P CB -0.319 31.284 31.700 -0.161 0.000 0.835 206 L N -1.822 119.322 121.223 -0.132 0.000 2.640 206 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 206 L C 2.298 179.130 176.870 -0.064 0.000 1.123 206 L CA 0.052 54.841 54.840 -0.086 0.000 0.900 206 L CB -0.776 41.237 42.059 -0.078 0.000 1.146 206 L HN -0.165 nan 8.230 nan 0.000 0.484 207 S N 1.109 116.783 115.700 -0.042 0.000 2.393 207 S HA -0.276 4.193 4.470 -0.000 0.000 0.234 207 S C 1.972 176.594 174.600 0.038 0.000 1.064 207 S CA 1.866 60.101 58.200 0.058 0.000 1.088 207 S CB -0.192 63.073 63.200 0.109 0.000 0.939 207 S HN 0.465 nan 8.310 nan 0.000 0.448 208 K N 0.117 120.523 120.400 0.010 0.000 2.097 208 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 208 K C 1.863 178.455 176.600 -0.012 0.000 1.050 208 K CA 0.767 57.059 56.287 0.008 0.000 0.938 208 K CB -0.261 32.240 32.500 0.002 0.000 0.718 208 K HN 0.195 nan 8.250 nan 0.000 0.442 209 L N 0.673 121.876 121.223 -0.033 0.000 2.093 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 209 L C 2.262 179.071 176.870 -0.102 0.000 1.085 209 L CA 1.276 56.082 54.840 -0.057 0.000 0.755 209 L CB -0.876 41.148 42.059 -0.058 0.000 0.904 209 L HN -0.073 nan 8.230 nan 0.000 0.435 210 V N -0.535 119.312 119.914 -0.112 0.000 2.295 210 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 210 V C 2.498 178.357 176.094 -0.392 0.000 1.049 210 V CA 1.548 63.701 62.300 -0.245 0.000 1.024 210 V CB -0.369 31.397 31.823 -0.095 0.000 0.648 210 V HN 0.329 nan 8.190 nan 0.000 0.447 211 L N -0.778 120.385 121.223 -0.099 0.000 2.056 211 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 211 L C 2.595 179.504 176.870 0.066 0.000 1.078 211 L CA 1.569 56.452 54.840 0.071 0.000 0.749 211 L CB -0.566 41.574 42.059 0.135 0.000 0.901 211 L HN 0.258 nan 8.230 nan 0.000 0.433 212 K N 0.002 120.407 120.400 0.008 0.000 2.057 212 K HA -0.231 4.088 4.320 -0.000 0.000 0.207 212 K C 2.182 178.785 176.600 0.005 0.000 1.049 212 K CA 1.254 57.550 56.287 0.016 0.000 0.931 212 K CB -0.083 32.415 32.500 -0.004 0.000 0.714 212 K HN -0.039 nan 8.250 nan 0.000 0.440 213 K N 0.610 120.963 120.400 -0.079 0.000 2.063 213 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 213 K C 1.739 178.374 176.600 0.059 0.000 1.048 213 K CA 1.411 57.653 56.287 -0.076 0.000 0.928 213 K CB -0.270 32.122 32.500 -0.180 0.000 0.713 213 K HN -0.010 nan 8.250 nan 0.000 0.442 214 F N 1.300 121.328 119.950 0.129 0.000 2.171 214 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 214 F C 1.820 177.667 175.800 0.080 0.000 1.090 214 F CA 1.271 59.344 58.000 0.122 0.000 1.293 214 F CB -0.722 38.350 39.000 0.120 0.000 1.013 214 F HN 0.119 nan 8.300 nan 0.000 0.486 215 D N -0.360 120.183 120.400 0.237 0.000 2.149 215 D HA -0.138 4.501 4.640 -0.000 0.000 0.201 215 D C 2.197 178.560 176.300 0.105 0.000 0.972 215 D CA 0.930 55.016 54.000 0.143 0.000 0.835 215 D CB -0.409 40.454 40.800 0.104 0.000 0.966 215 D HN 0.367 nan 8.370 nan 0.000 0.476 216 E N 0.510 120.767 120.200 0.095 0.000 2.106 216 E HA -0.113 4.236 4.350 -0.000 0.000 0.192 216 E C 1.929 178.582 176.600 0.087 0.000 0.984 216 E CA 0.609 57.052 56.400 0.071 0.000 0.806 216 E CB 0.293 30.021 29.700 0.048 0.000 0.750 216 E HN 0.012 nan 8.360 nan 0.000 0.458 217 V N 0.901 120.891 119.914 0.127 0.000 2.626 217 V HA -0.189 3.930 4.120 -0.000 0.000 0.252 217 V C 2.259 178.413 176.094 0.100 0.000 1.067 217 V CA 1.660 64.041 62.300 0.134 0.000 1.081 217 V CB -0.343 31.603 31.823 0.205 0.000 0.686 217 V HN 0.140 nan 8.190 nan 0.000 0.468 218 K N -0.043 120.416 120.400 0.100 0.000 2.116 218 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 218 K C 2.202 178.831 176.600 0.048 0.000 1.052 218 K CA 0.982 57.308 56.287 0.065 0.000 0.952 218 K CB -0.043 32.496 32.500 0.066 0.000 0.729 218 K HN 0.492 nan 8.250 nan 0.000 0.446 219 E N 0.347 120.579 120.200 0.053 0.000 2.077 219 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 219 E C 1.713 178.334 176.600 0.035 0.000 0.989 219 E CA 1.025 57.448 56.400 0.040 0.000 0.800 219 E CB 0.012 29.736 29.700 0.040 0.000 0.746 219 E HN 0.261 nan 8.360 nan 0.000 0.452 220 L N -0.332 120.917 121.223 0.043 0.000 2.465 220 L HA 0.023 4.363 4.340 -0.000 0.000 0.224 220 L C 1.236 178.125 176.870 0.031 0.000 1.145 220 L CA 0.430 55.293 54.840 0.039 0.000 0.834 220 L CB -0.181 41.907 42.059 0.048 0.000 0.944 220 L HN 0.290 nan 8.230 nan 0.000 0.451 221 G N 0.927 109.745 108.800 0.030 0.000 2.246 221 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 221 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 221 G C -0.168 174.740 174.900 0.014 0.000 1.055 221 G CA -0.087 45.024 45.100 0.018 0.000 0.851 221 G HN 0.224 nan 8.290 nan 0.000 0.500 222 L N -0.847 120.391 121.223 0.025 0.000 2.325 222 L HA 0.724 5.064 4.340 -0.000 0.000 0.278 222 L C 0.879 177.754 176.870 0.009 0.000 1.023 222 L CA -1.227 53.625 54.840 0.019 0.000 0.811 222 L CB 1.625 43.708 42.059 0.040 0.000 1.249 222 L HN 0.120 nan 8.230 nan 0.000 0.431 223 L N 2.388 123.601 121.223 -0.016 0.000 3.512 223 L HA -0.195 4.145 4.340 -0.000 0.000 0.446 223 L C 1.190 178.028 176.870 -0.054 0.000 1.290 223 L CA 0.741 55.555 54.840 -0.042 0.000 0.871 223 L CB -1.461 40.575 42.059 -0.039 0.000 1.767 223 L HN 0.816 nan 8.230 nan 0.000 0.855 224 E N -0.267 119.904 120.200 -0.048 0.000 2.400 224 E HA 0.046 4.395 4.350 -0.000 0.000 0.195 224 E C 0.525 177.085 176.600 -0.067 0.000 1.012 224 E CA 0.180 56.547 56.400 -0.055 0.000 0.875 224 E CB 0.341 30.016 29.700 -0.040 0.000 0.859 224 E HN 0.515 nan 8.360 nan 0.000 0.498 225 R N 1.034 121.493 120.500 -0.069 0.000 3.301 225 R HA 0.247 4.587 4.340 -0.000 0.000 0.286 225 R C -0.358 175.883 176.300 -0.099 0.000 1.386 225 R CA -0.343 55.710 56.100 -0.078 0.000 1.607 225 R CB 0.157 30.417 30.300 -0.067 0.000 1.305 225 R HN -0.015 nan 8.270 nan 0.000 0.637 226 I N 1.645 122.145 120.570 -0.118 0.000 2.494 226 I HA -0.027 4.143 4.170 -0.000 0.000 0.289 226 I C 0.553 176.575 176.117 -0.157 0.000 1.106 226 I CA 0.612 61.821 61.300 -0.152 0.000 1.369 226 I CB 0.638 38.528 38.000 -0.184 0.000 1.410 226 I HN 0.457 nan 8.210 nan 0.000 0.523 227 Q N 6.533 126.237 119.800 -0.160 0.000 2.394 227 Q HA 0.272 4.612 4.340 -0.000 0.000 0.218 227 Q C 0.194 176.097 176.000 -0.161 0.000 0.907 227 Q CA 0.625 56.341 55.803 -0.145 0.000 0.919 227 Q CB 0.641 29.301 28.738 -0.130 0.000 1.051 227 Q HN 0.737 nan 8.270 nan 0.000 0.538 228 M N 0.369 119.844 119.600 -0.208 0.000 2.365 228 M HA 0.419 4.898 4.480 -0.000 0.000 0.287 228 M C -1.973 174.150 176.300 -0.294 0.000 1.154 228 M CA -0.347 54.820 55.300 -0.221 0.000 0.941 228 M CB 2.192 34.649 32.600 -0.238 0.000 1.704 228 M HN -0.065 nan 8.290 nan 0.000 0.479 229 I N 3.531 123.962 120.570 -0.231 0.000 2.362 229 I HA 0.585 4.755 4.170 -0.000 0.000 0.289 229 I C -0.290 175.740 176.117 -0.146 0.000 0.994 229 I CA -0.509 60.637 61.300 -0.258 0.000 1.158 229 I CB 1.936 39.712 38.000 -0.373 0.000 1.315 229 I HN 0.786 nan 8.210 nan 0.000 0.451 230 A N 9.264 131.911 122.820 -0.289 0.000 2.508 230 A HA 0.661 4.981 4.320 -0.000 0.000 0.336 230 A C -2.617 174.966 177.584 -0.001 0.000 1.360 230 A CA -1.452 50.415 52.037 -0.284 0.000 0.841 230 A CB 0.066 18.554 19.000 -0.853 0.000 1.136 230 A HN 0.334 nan 8.150 nan 0.000 0.489 231 P HA 0.207 nan 4.420 nan 0.000 0.278 231 P C 0.746 178.219 177.300 0.288 0.000 1.266 231 P CA -0.336 62.893 63.100 0.216 0.000 0.807 231 P CB 1.323 33.132 31.700 0.181 0.000 1.094 232 S N -1.833 113.945 115.700 0.130 0.000 2.603 232 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 232 S C 0.492 174.978 174.600 -0.189 0.000 0.967 232 S CA 0.324 58.505 58.200 -0.031 0.000 0.920 232 S CB -0.742 62.221 63.200 -0.396 0.000 0.773 232 S HN 0.465 nan 8.310 nan 0.000 0.529 233 H N 0.294 119.422 119.070 0.097 0.000 2.771 233 H HA 0.571 5.127 4.556 -0.000 0.000 0.361 233 H C 0.898 176.147 175.328 -0.132 0.000 1.108 233 H CA 0.105 56.130 56.048 -0.038 0.000 1.201 233 H CB 1.310 30.961 29.762 -0.186 0.000 1.681 233 H HN 0.391 nan 8.280 nan 0.000 0.534 234 G N 2.507 111.306 108.800 -0.002 0.000 2.553 234 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 234 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 234 G C -0.612 174.178 174.900 -0.184 0.000 1.277 234 G CA -0.692 44.337 45.100 -0.118 0.000 0.910 234 G HN 0.523 nan 8.290 nan 0.000 0.576 235 Q N -0.143 119.474 119.800 -0.306 0.000 2.364 235 Q HA 0.514 4.854 4.340 -0.000 0.000 0.267 235 Q C 0.799 176.510 176.000 -0.481 0.000 0.999 235 Q CA -0.026 55.529 55.803 -0.413 0.000 0.886 235 Q CB 0.631 29.053 28.738 -0.526 0.000 1.243 235 Q HN 0.555 nan 8.270 nan 0.000 0.415 236 I N 1.399 121.764 120.570 -0.341 0.000 2.441 236 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 236 I C -0.170 175.752 176.117 -0.326 0.000 1.049 236 I CA -0.236 60.916 61.300 -0.247 0.000 1.381 236 I CB 0.455 38.393 38.000 -0.104 0.000 1.409 236 I HN 0.405 nan 8.210 nan 0.000 0.523 237 W N 5.462 126.672 121.300 -0.150 0.000 2.507 237 W HA 0.195 4.855 4.660 -0.000 0.000 0.334 237 W C 1.535 177.943 176.519 -0.185 0.000 1.165 237 W CA -0.478 56.765 57.345 -0.171 0.000 1.460 237 W CB 0.542 29.863 29.460 -0.231 0.000 1.404 237 W HN 0.579 nan 8.180 nan 0.000 0.435 238 T N -2.363 112.206 114.554 0.025 0.000 3.100 238 T HA -0.068 4.282 4.350 -0.000 0.000 0.253 238 T C 0.321 175.014 174.700 -0.012 0.000 1.118 238 T CA 0.398 62.481 62.100 -0.028 0.000 1.058 238 T CB 0.009 68.843 68.868 -0.056 0.000 0.953 238 T HN 0.192 nan 8.240 nan 0.000 0.515 239 D N 2.289 122.722 120.400 0.056 0.000 2.551 239 D HA 0.328 4.967 4.640 -0.000 0.000 0.294 239 D C -1.563 174.721 176.300 -0.027 0.000 1.201 239 D CA -2.582 51.428 54.000 0.017 0.000 0.941 239 D CB 1.367 42.196 40.800 0.047 0.000 0.995 239 D HN 0.071 nan 8.370 nan 0.000 0.502 240 P HA -0.150 nan 4.420 nan 0.000 0.218 240 P C 1.533 178.569 177.300 -0.440 0.000 1.148 240 P CA 0.649 63.553 63.100 -0.328 0.000 0.822 240 P CB 0.202 31.704 31.700 -0.330 0.000 0.784 241 M N -0.262 119.154 119.600 -0.307 0.000 2.374 241 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 241 M C 2.112 178.228 176.300 -0.307 0.000 1.067 241 M CA 1.174 56.293 55.300 -0.301 0.000 1.103 241 M CB -1.310 31.161 32.600 -0.215 0.000 1.402 241 M HN 0.013 nan 8.290 nan 0.000 0.444 242 K N 0.243 120.473 120.400 -0.284 0.000 2.057 242 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 242 K C 1.863 178.211 176.600 -0.421 0.000 1.050 242 K CA 1.148 57.281 56.287 -0.257 0.000 0.935 242 K CB -0.061 32.376 32.500 -0.105 0.000 0.715 242 K HN 0.149 nan 8.250 nan 0.000 0.439 243 I N 1.082 121.204 120.570 -0.747 0.000 2.584 243 I HA -0.063 4.107 4.170 -0.000 0.000 0.255 243 I C 1.651 177.467 176.117 -0.502 0.000 1.145 243 I CA 0.815 61.591 61.300 -0.874 0.000 1.462 243 I CB 0.064 36.958 38.000 -1.843 0.000 1.102 243 I HN 0.191 nan 8.210 nan 0.000 0.433 244 I N 0.072 120.317 120.570 -0.542 0.000 2.439 244 I HA -0.226 3.943 4.170 -0.000 0.000 0.251 244 I C 2.163 178.127 176.117 -0.254 0.000 1.139 244 I CA 1.114 62.191 61.300 -0.373 0.000 1.438 244 I CB -0.260 37.419 38.000 -0.534 0.000 1.085 244 I HN 0.231 nan 8.210 nan 0.000 0.427 245 E N 0.798 120.825 120.200 -0.288 0.000 2.107 245 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 245 E C 2.357 178.779 176.600 -0.297 0.000 0.982 245 E CA 1.067 57.318 56.400 -0.250 0.000 0.809 245 E CB -0.105 29.456 29.700 -0.231 0.000 0.756 245 E HN 0.478 nan 8.360 nan 0.000 0.459 246 A N 0.603 123.181 122.820 -0.403 0.000 1.877 246 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 246 A C 1.835 178.929 177.584 -0.816 0.000 1.186 246 A CA 1.242 52.793 52.037 -0.809 0.000 0.620 246 A CB -0.772 17.675 19.000 -0.922 0.000 0.822 246 A HN 0.252 nan 8.150 nan 0.000 0.443 247 Y N 1.085 121.173 120.300 -0.353 0.000 2.224 247 Y HA -0.158 4.391 4.550 -0.000 0.000 0.289 247 Y C 2.946 178.918 175.900 0.121 0.000 1.146 247 Y CA 1.684 59.850 58.100 0.110 0.000 1.182 247 Y CB -0.967 37.812 38.460 0.532 0.000 0.983 247 Y HN 0.336 nan 8.280 nan 0.000 0.524 248 T N -1.187 113.477 114.554 0.183 0.000 2.777 248 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 248 T C 2.253 176.951 174.700 -0.003 0.000 1.040 248 T CA 1.319 63.498 62.100 0.132 0.000 1.141 248 T CB -0.864 68.014 68.868 0.015 0.000 0.868 248 T HN 0.519 nan 8.240 nan 0.000 0.444 249 G N 0.478 109.177 108.800 -0.169 0.000 2.421 249 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 249 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 249 G C 1.329 176.156 174.900 -0.123 0.000 1.171 249 G CA 0.420 45.398 45.100 -0.204 0.000 0.775 249 G HN 0.413 nan 8.290 nan 0.000 0.543 250 W N 1.010 122.165 121.300 -0.241 0.000 2.381 250 W HA 0.136 4.796 4.660 -0.000 0.000 0.301 250 W C 2.912 179.258 176.519 -0.289 0.000 1.205 250 W CA 0.831 57.904 57.345 -0.454 0.000 1.285 250 W CB -1.163 27.589 29.460 -1.180 0.000 1.133 250 W HN 0.320 nan 8.180 nan 0.000 0.521 251 A N 0.127 122.973 122.820 0.043 0.000 2.067 251 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 251 A C 1.852 179.510 177.584 0.125 0.000 1.158 251 A CA 2.267 54.411 52.037 0.178 0.000 0.661 251 A CB -0.963 18.189 19.000 0.253 0.000 0.801 251 A HN 0.286 nan 8.150 nan 0.000 0.452 252 T N -4.789 109.819 114.554 0.090 0.000 3.040 252 T HA 0.423 4.773 4.350 -0.000 0.000 0.250 252 T C 1.146 175.883 174.700 0.063 0.000 1.058 252 T CA 0.876 63.018 62.100 0.070 0.000 0.988 252 T CB 0.162 69.062 68.868 0.054 0.000 0.993 252 T HN 1.659 nan 8.240 nan 0.000 0.519 253 G N 2.036 110.883 108.800 0.080 0.000 2.291 253 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.271 253 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.271 253 G C 0.599 175.542 174.900 0.072 0.000 1.099 253 G CA 0.263 45.417 45.100 0.091 0.000 0.919 253 G HN 0.240 nan 8.290 nan 0.000 0.496 254 M N -0.160 119.479 119.600 0.064 0.000 2.101 254 M HA 0.097 4.577 4.480 -0.000 0.000 0.259 254 M C 2.090 178.426 176.300 0.060 0.000 1.083 254 M CA 2.184 57.509 55.300 0.041 0.000 1.114 254 M CB -1.755 30.845 32.600 0.000 0.000 1.281 254 M HN 1.823 nan 8.290 nan 0.000 0.422 255 V N 0.099 120.068 119.914 0.091 0.000 3.605 255 V HA -0.213 3.907 4.120 -0.000 0.000 0.515 255 V C -0.451 175.683 176.094 0.068 0.000 0.682 255 V CA -0.404 61.954 62.300 0.097 0.000 2.069 255 V CB -1.156 30.722 31.823 0.092 0.000 2.488 255 V HN 0.522 nan 8.190 nan 0.000 0.512 256 D N 2.957 123.402 120.400 0.074 0.000 2.433 256 D HA 0.358 4.998 4.640 -0.000 0.000 0.255 256 D C 0.559 176.889 176.300 0.050 0.000 1.226 256 D CA 0.121 54.156 54.000 0.057 0.000 1.015 256 D CB 0.583 41.422 40.800 0.063 0.000 1.091 256 D HN 0.917 nan 8.370 nan 0.000 0.527 257 E N 0.992 121.215 120.200 0.039 0.000 2.104 257 E HA 0.250 4.600 4.350 -0.000 0.000 0.278 257 E C 0.132 176.751 176.600 0.032 0.000 1.127 257 E CA 0.162 56.581 56.400 0.030 0.000 0.897 257 E CB 0.990 30.702 29.700 0.020 0.000 1.043 257 E HN 0.129 nan 8.360 nan 0.000 0.410 258 R N 2.459 122.980 120.500 0.035 0.000 2.536 258 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 258 R C -1.899 174.423 176.300 0.037 0.000 1.113 258 R CA -0.501 55.622 56.100 0.038 0.000 0.948 258 R CB 1.561 31.896 30.300 0.058 0.000 1.237 258 R HN 0.291 nan 8.270 nan 0.000 0.441 259 V N 2.993 122.923 119.914 0.027 0.000 2.417 259 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 259 V C -0.245 175.877 176.094 0.047 0.000 1.024 259 V CA -0.543 61.774 62.300 0.029 0.000 0.861 259 V CB 2.004 33.828 31.823 0.002 0.000 0.985 259 V HN 0.769 nan 8.190 nan 0.000 0.436 260 T N 4.564 119.162 114.554 0.074 0.000 2.758 260 T HA 0.523 4.873 4.350 -0.000 0.000 0.285 260 T C -0.318 174.462 174.700 0.135 0.000 0.981 260 T CA -0.277 61.897 62.100 0.123 0.000 0.965 260 T CB 1.364 70.327 68.868 0.158 0.000 0.927 260 T HN 0.350 nan 8.240 nan 0.000 0.448 261 V N 5.681 125.690 119.914 0.158 0.000 2.398 261 V HA 0.555 4.675 4.120 -0.000 0.000 0.286 261 V C -0.282 175.993 176.094 0.302 0.000 1.026 261 V CA -0.698 61.729 62.300 0.212 0.000 0.868 261 V CB 1.063 32.983 31.823 0.160 0.000 0.982 261 V HN 0.757 nan 8.190 nan 0.000 0.443 262 I N 6.375 127.130 120.570 0.308 0.000 2.545 262 I HA 0.696 4.865 4.170 -0.000 0.000 0.292 262 I C -0.815 175.457 176.117 0.260 0.000 1.040 262 I CA -0.591 60.860 61.300 0.251 0.000 1.068 262 I CB 1.962 40.032 38.000 0.117 0.000 1.251 262 I HN 0.752 nan 8.210 nan 0.000 0.424 263 Y N 2.530 122.873 120.300 0.073 0.000 2.656 263 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 263 Y C -2.057 173.824 175.900 -0.032 0.000 1.179 263 Y CA -1.104 56.979 58.100 -0.029 0.000 1.050 263 Y CB 1.420 39.920 38.460 0.066 0.000 1.308 263 Y HN 0.430 nan 8.280 nan 0.000 0.456 264 D N 0.209 120.592 120.400 -0.027 0.000 2.477 264 D HA 0.652 5.291 4.640 -0.000 0.000 0.234 264 D C -1.463 174.836 176.300 -0.002 0.000 1.048 264 D CA -0.032 53.872 54.000 -0.161 0.000 0.959 264 D CB 2.778 43.422 40.800 -0.261 0.000 1.408 264 D HN 0.799 nan 8.370 nan 0.000 0.496 265 T N 0.672 115.135 114.554 -0.152 0.000 2.889 265 T HA 0.392 4.741 4.350 -0.000 0.000 0.315 265 T C 0.424 174.970 174.700 -0.257 0.000 1.291 265 T CA -0.310 61.728 62.100 -0.103 0.000 1.028 265 T CB 1.273 70.197 68.868 0.093 0.000 1.235 265 T HN 0.335 nan 8.240 nan 0.000 0.491 266 M N 1.074 120.555 119.600 -0.200 0.000 2.906 266 M HA 0.271 4.750 4.480 -0.000 0.000 0.252 266 M C 1.250 177.331 176.300 -0.365 0.000 1.359 266 M CA 0.353 55.481 55.300 -0.287 0.000 1.239 266 M CB 0.215 32.644 32.600 -0.285 0.000 1.229 266 M HN 0.589 nan 8.290 nan 0.000 0.547 267 H N -0.779 118.279 119.070 -0.021 0.000 2.755 267 H HA 0.377 4.933 4.556 -0.000 0.000 0.273 267 H C 1.117 176.423 175.328 -0.036 0.000 1.055 267 H CA 0.854 56.886 56.048 -0.027 0.000 1.191 267 H CB 0.942 30.691 29.762 -0.022 0.000 1.536 267 H HN 0.600 nan 8.280 nan 0.000 0.529 268 G N 0.473 109.297 108.800 0.040 0.000 2.176 268 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.232 268 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.232 268 G C 1.395 176.278 174.900 -0.027 0.000 0.986 268 G CA 0.645 45.739 45.100 -0.009 0.000 0.643 268 G HN 0.373 nan 8.290 nan 0.000 0.522 269 S N 0.065 115.775 115.700 0.017 0.000 2.357 269 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 269 S C 2.433 177.036 174.600 0.005 0.000 1.031 269 S CA 2.116 60.324 58.200 0.012 0.000 0.982 269 S CB -0.349 62.883 63.200 0.052 0.000 0.853 269 S HN 0.629 nan 8.310 nan 0.000 0.458 270 T N 1.973 116.545 114.554 0.029 0.000 2.788 270 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 270 T C 1.830 176.480 174.700 -0.082 0.000 1.044 270 T CA 1.374 63.512 62.100 0.064 0.000 1.139 270 T CB -0.209 68.701 68.868 0.070 0.000 0.867 270 T HN 0.393 nan 8.240 nan 0.000 0.454 271 R N 1.441 121.798 120.500 -0.239 0.000 2.080 271 R HA -0.106 4.233 4.340 -0.000 0.000 0.236 271 R C 2.266 178.283 176.300 -0.472 0.000 1.137 271 R CA 1.574 57.321 56.100 -0.588 0.000 0.943 271 R CB -0.131 29.974 30.300 -0.325 0.000 0.846 271 R HN 0.289 nan 8.270 nan 0.000 0.431 272 K N 0.047 120.271 120.400 -0.294 0.000 2.074 272 K HA -0.189 4.130 4.320 -0.000 0.000 0.209 272 K C 2.246 178.772 176.600 -0.123 0.000 1.048 272 K CA 2.222 58.382 56.287 -0.211 0.000 0.926 272 K CB -0.212 32.217 32.500 -0.118 0.000 0.713 272 K HN 0.302 nan 8.250 nan 0.000 0.444 273 M N 0.402 119.945 119.600 -0.095 0.000 2.080 273 M HA -0.192 4.287 4.480 -0.000 0.000 0.260 273 M C 2.499 178.624 176.300 -0.293 0.000 1.068 273 M CA 1.769 56.992 55.300 -0.128 0.000 1.109 273 M CB -0.477 32.124 32.600 0.002 0.000 1.342 273 M HN 0.231 nan 8.290 nan 0.000 0.405 274 A N -0.386 122.298 122.820 -0.226 0.000 1.908 274 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 274 A C 1.742 179.282 177.584 -0.074 0.000 1.181 274 A CA 2.057 53.971 52.037 -0.205 0.000 0.627 274 A CB -1.145 17.742 19.000 -0.189 0.000 0.818 274 A HN 0.471 nan 8.150 nan 0.000 0.445 275 H N -0.365 118.583 119.070 -0.204 0.000 2.387 275 H HA 0.026 4.581 4.556 -0.000 0.000 0.299 275 H C 2.399 177.675 175.328 -0.086 0.000 1.099 275 H CA 1.340 57.319 56.048 -0.115 0.000 1.315 275 H CB -0.383 29.326 29.762 -0.088 0.000 1.380 275 H HN 0.512 nan 8.280 nan 0.000 0.513 276 A N 0.133 122.970 122.820 0.027 0.000 1.929 276 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 276 A C 2.458 180.021 177.584 -0.035 0.000 1.176 276 A CA 0.972 53.034 52.037 0.043 0.000 0.628 276 A CB -0.518 18.503 19.000 0.035 0.000 0.816 276 A HN 0.335 nan 8.150 nan 0.000 0.444 277 I N -0.211 120.256 120.570 -0.173 0.000 2.252 277 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 277 I C 2.958 178.950 176.117 -0.209 0.000 1.102 277 I CA 1.016 62.169 61.300 -0.245 0.000 1.385 277 I CB -0.255 37.510 38.000 -0.391 0.000 1.064 277 I HN 0.352 nan 8.210 nan 0.000 0.414 278 A N 0.258 122.986 122.820 -0.154 0.000 1.902 278 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 278 A C 2.190 179.688 177.584 -0.143 0.000 1.181 278 A CA 2.012 53.971 52.037 -0.131 0.000 0.623 278 A CB -0.535 18.392 19.000 -0.120 0.000 0.818 278 A HN 0.386 nan 8.150 nan 0.000 0.443 279 E N -0.060 120.078 120.200 -0.103 0.000 2.051 279 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 279 E C 2.020 178.441 176.600 -0.298 0.000 0.991 279 E CA 1.601 57.979 56.400 -0.036 0.000 0.799 279 E CB -0.765 29.045 29.700 0.184 0.000 0.748 279 E HN 0.423 nan 8.360 nan 0.000 0.449 280 G N 0.104 108.459 108.800 -0.741 0.000 2.402 280 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.216 280 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.216 280 G C 1.706 176.210 174.900 -0.659 0.000 1.162 280 G CA 1.030 45.255 45.100 -1.460 0.000 0.777 280 G HN 0.438 nan 8.290 nan 0.000 0.539 281 A N 0.536 123.130 122.820 -0.377 0.000 1.940 281 A HA 0.015 4.334 4.320 -0.000 0.000 0.219 281 A C 2.434 179.920 177.584 -0.162 0.000 1.176 281 A CA 1.808 53.717 52.037 -0.214 0.000 0.631 281 A CB -0.341 18.573 19.000 -0.143 0.000 0.814 281 A HN 0.393 nan 8.150 nan 0.000 0.446 282 M N 0.198 119.704 119.600 -0.155 0.000 2.254 282 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 282 M C 2.460 178.720 176.300 -0.066 0.000 1.066 282 M CA 1.495 56.743 55.300 -0.087 0.000 1.123 282 M CB -0.260 32.305 32.600 -0.059 0.000 1.388 282 M HN 0.668 nan 8.290 nan 0.000 0.425 283 S N 0.145 115.787 115.700 -0.096 0.000 2.383 283 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 283 S C 1.595 176.179 174.600 -0.026 0.000 1.030 283 S CA 1.088 59.277 58.200 -0.018 0.000 1.002 283 S CB -0.449 62.787 63.200 0.061 0.000 0.829 283 S HN 0.432 nan 8.310 nan 0.000 0.467 284 E N 1.184 121.343 120.200 -0.068 0.000 2.478 284 E HA 0.088 4.438 4.350 -0.000 0.000 0.198 284 E C 1.435 178.020 176.600 -0.025 0.000 1.046 284 E CA 0.643 57.017 56.400 -0.043 0.000 0.870 284 E CB -0.623 29.042 29.700 -0.058 0.000 0.818 284 E HN 0.816 nan 8.360 nan 0.000 0.527 285 G N 0.992 109.776 108.800 -0.026 0.000 2.147 285 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 285 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 285 G C 0.334 175.227 174.900 -0.010 0.000 1.005 285 G CA 0.400 45.492 45.100 -0.012 0.000 0.713 285 G HN 0.185 nan 8.290 nan 0.000 0.515 286 V N 0.181 120.083 119.914 -0.019 0.000 2.863 286 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 286 V C 0.775 176.864 176.094 -0.009 0.000 1.061 286 V CA -0.213 62.080 62.300 -0.011 0.000 1.024 286 V CB 1.742 33.554 31.823 -0.018 0.000 1.049 286 V HN 0.414 nan 8.190 nan 0.000 0.471 287 D N 1.769 122.172 120.400 0.006 0.000 2.339 287 D HA 0.440 5.080 4.640 -0.000 0.000 0.245 287 D C -0.861 175.442 176.300 0.004 0.000 1.115 287 D CA 0.304 54.309 54.000 0.009 0.000 0.917 287 D CB 1.306 42.124 40.800 0.029 0.000 1.192 287 D HN 0.208 nan 8.370 nan 0.000 0.428 288 V N 4.060 123.970 119.914 -0.006 0.000 2.808 288 V HA 0.517 4.636 4.120 -0.000 0.000 0.308 288 V C -0.566 175.509 176.094 -0.032 0.000 1.099 288 V CA -0.889 61.400 62.300 -0.019 0.000 0.920 288 V CB 2.068 33.863 31.823 -0.046 0.000 1.014 288 V HN 0.519 nan 8.190 nan 0.000 0.425 289 R N 2.836 123.317 120.500 -0.030 0.000 2.686 289 R HA 0.783 5.123 4.340 -0.000 0.000 0.286 289 R C -1.542 174.658 176.300 -0.167 0.000 0.969 289 R CA -0.719 55.311 56.100 -0.117 0.000 0.898 289 R CB 2.389 32.653 30.300 -0.060 0.000 1.183 289 R HN 0.435 nan 8.270 nan 0.000 0.456 290 V N 3.851 123.571 119.914 -0.324 0.000 2.444 290 V HA 0.432 4.552 4.120 -0.000 0.000 0.294 290 V C -1.223 174.659 176.094 -0.354 0.000 1.022 290 V CA -0.775 61.419 62.300 -0.177 0.000 0.850 290 V CB 1.307 33.103 31.823 -0.046 0.000 0.992 290 V HN 0.564 nan 8.190 nan 0.000 0.426 291 Y N 2.612 122.976 120.300 0.107 0.000 2.429 291 Y HA 0.587 5.137 4.550 -0.000 0.000 0.342 291 Y C 0.262 176.081 175.900 -0.134 0.000 1.004 291 Y CA -0.572 57.537 58.100 0.015 0.000 1.075 291 Y CB 1.843 40.302 38.460 -0.003 0.000 1.214 291 Y HN 0.648 nan 8.280 nan 0.000 0.455 292 C N 5.064 124.321 119.300 -0.072 0.000 2.329 292 C HA 0.428 4.888 4.460 -0.000 0.000 0.329 292 C C 1.371 176.262 174.990 -0.164 0.000 1.275 292 C CA -0.626 58.151 59.018 -0.401 0.000 1.726 292 C CB -0.815 26.708 27.740 -0.361 0.000 2.291 292 C HN 1.041 nan 8.230 nan 0.000 0.514 293 L N 4.062 125.163 121.223 -0.204 0.000 2.376 293 L HA -0.057 4.283 4.340 -0.000 0.000 0.219 293 L C 2.477 179.319 176.870 -0.047 0.000 1.133 293 L CA 0.771 55.556 54.840 -0.090 0.000 0.816 293 L CB -0.716 41.299 42.059 -0.074 0.000 0.933 293 L HN 0.808 nan 8.230 nan 0.000 0.449 294 H N 0.521 119.513 119.070 -0.129 0.000 2.462 294 H HA -0.058 4.498 4.556 -0.000 0.000 0.292 294 H C 1.638 176.940 175.328 -0.043 0.000 1.049 294 H CA 1.290 57.293 56.048 -0.075 0.000 1.334 294 H CB 0.661 30.362 29.762 -0.101 0.000 1.404 294 H HN 0.445 nan 8.280 nan 0.000 0.544 295 E N -0.154 120.102 120.200 0.094 0.000 2.290 295 E HA 0.059 4.409 4.350 -0.000 0.000 0.199 295 E C -0.169 176.463 176.600 0.053 0.000 0.912 295 E CA 0.056 56.505 56.400 0.082 0.000 0.924 295 E CB 0.791 30.532 29.700 0.068 0.000 0.901 295 E HN 0.336 nan 8.360 nan 0.000 0.487 296 D N 1.428 121.854 120.400 0.043 0.000 2.252 296 D HA 0.217 4.857 4.640 -0.000 0.000 0.245 296 D C -0.765 175.520 176.300 -0.026 0.000 1.009 296 D CA -0.442 53.586 54.000 0.046 0.000 0.870 296 D CB 1.726 42.614 40.800 0.148 0.000 1.251 296 D HN -0.149 nan 8.370 nan 0.000 0.460 297 D N -0.370 120.002 120.400 -0.048 0.000 2.341 297 D HA 0.041 4.681 4.640 -0.000 0.000 0.245 297 D C 1.624 177.840 176.300 -0.140 0.000 1.106 297 D CA -0.393 53.551 54.000 -0.093 0.000 0.905 297 D CB 0.960 41.705 40.800 -0.092 0.000 1.202 297 D HN 0.314 nan 8.370 nan 0.000 0.426 298 R N 1.405 121.817 120.500 -0.147 0.000 2.159 298 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 298 R C 1.500 177.762 176.300 -0.063 0.000 1.131 298 R CA 1.636 57.665 56.100 -0.118 0.000 0.982 298 R CB -0.548 29.649 30.300 -0.171 0.000 0.868 298 R HN 0.414 nan 8.270 nan 0.000 0.453 299 S N 0.079 115.688 115.700 -0.152 0.000 2.428 299 S HA -0.082 4.388 4.470 -0.000 0.000 0.230 299 S C 1.729 176.200 174.600 -0.215 0.000 1.014 299 S CA 0.863 58.941 58.200 -0.203 0.000 0.957 299 S CB 0.192 63.106 63.200 -0.476 0.000 0.784 299 S HN 0.386 nan 8.310 nan 0.000 0.499 300 E N 1.442 121.520 120.200 -0.202 0.000 2.076 300 E HA 0.175 4.525 4.350 -0.000 0.000 0.190 300 E C 1.819 178.222 176.600 -0.329 0.000 0.979 300 E CA 0.959 57.246 56.400 -0.188 0.000 0.807 300 E CB -0.404 29.227 29.700 -0.115 0.000 0.761 300 E HN 0.631 nan 8.360 nan 0.000 0.454 301 I N -0.406 119.868 120.570 -0.493 0.000 2.163 301 I HA -0.270 3.899 4.170 -0.000 0.000 0.243 301 I C 2.136 178.096 176.117 -0.261 0.000 1.085 301 I CA 0.735 61.634 61.300 -0.668 0.000 1.347 301 I CB -0.243 37.471 38.000 -0.476 0.000 1.044 301 I HN 0.028 nan 8.210 nan 0.000 0.408 302 V N 0.965 120.830 119.914 -0.081 0.000 2.343 302 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 302 V C 2.563 178.704 176.094 0.078 0.000 1.051 302 V CA 1.962 64.311 62.300 0.083 0.000 1.036 302 V CB -0.637 31.306 31.823 0.200 0.000 0.654 302 V HN 0.425 nan 8.190 nan 0.000 0.451 303 K N -0.053 120.343 120.400 -0.008 0.000 2.077 303 K HA -0.322 3.998 4.320 -0.000 0.000 0.213 303 K C 1.743 178.350 176.600 0.012 0.000 1.051 303 K CA 2.592 58.868 56.287 -0.018 0.000 0.929 303 K CB -0.272 32.208 32.500 -0.034 0.000 0.715 303 K HN 0.467 nan 8.250 nan 0.000 0.451 304 D N 0.155 120.569 120.400 0.023 0.000 2.149 304 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 304 D C 1.831 178.157 176.300 0.043 0.000 0.972 304 D CA 0.931 54.983 54.000 0.086 0.000 0.835 304 D CB 0.011 40.946 40.800 0.225 0.000 0.966 304 D HN 0.259 nan 8.370 nan 0.000 0.476 305 I N 0.389 120.938 120.570 -0.035 0.000 2.264 305 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 305 I C 2.189 178.206 176.117 -0.166 0.000 1.111 305 I CA 0.482 61.677 61.300 -0.176 0.000 1.382 305 I CB -0.176 37.565 38.000 -0.432 0.000 1.060 305 I HN 0.097 nan 8.210 nan 0.000 0.418 306 L N 0.889 122.132 121.223 0.034 0.000 2.042 306 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 306 L C 2.104 179.038 176.870 0.107 0.000 1.076 306 L CA 2.003 56.953 54.840 0.185 0.000 0.749 306 L CB -0.614 41.491 42.059 0.076 0.000 0.893 306 L HN 0.183 nan 8.230 nan 0.000 0.432 307 E N -0.468 119.781 120.200 0.082 0.000 2.463 307 E HA 0.189 4.539 4.350 -0.000 0.000 0.193 307 E C 0.107 176.765 176.600 0.096 0.000 1.041 307 E CA 0.079 56.552 56.400 0.122 0.000 0.879 307 E CB 0.151 29.934 29.700 0.138 0.000 0.997 307 E HN 0.426 nan 8.360 nan 0.000 0.478 308 S N -0.857 114.881 115.700 0.063 0.000 2.537 308 S HA 0.492 4.962 4.470 -0.000 0.000 0.301 308 S C 1.034 175.661 174.600 0.045 0.000 1.092 308 S CA -0.498 57.734 58.200 0.053 0.000 1.048 308 S CB 1.983 65.211 63.200 0.048 0.000 1.053 308 S HN 0.210 nan 8.310 nan 0.000 0.501 309 G N 0.431 109.260 108.800 0.047 0.000 2.603 309 G HA2 0.484 4.444 3.960 -0.000 0.000 0.214 309 G HA3 0.484 4.444 3.960 -0.000 0.000 0.214 309 G C 0.200 175.134 174.900 0.056 0.000 1.140 309 G CA 0.433 45.560 45.100 0.044 0.000 0.800 309 G HN 0.969 nan 8.290 nan 0.000 0.533 310 A N -0.283 122.576 122.820 0.064 0.000 2.572 310 A HA 0.747 5.066 4.320 -0.000 0.000 0.295 310 A C -1.002 176.631 177.584 0.082 0.000 1.072 310 A CA -0.753 51.334 52.037 0.085 0.000 0.691 310 A CB 1.355 20.389 19.000 0.058 0.000 1.291 310 A HN 0.678 nan 8.150 nan 0.000 0.404 311 I N -1.821 118.800 120.570 0.086 0.000 2.934 311 I HA 0.955 5.125 4.170 -0.000 0.000 0.306 311 I C -0.336 175.813 176.117 0.053 0.000 1.110 311 I CA -1.189 60.138 61.300 0.046 0.000 1.019 311 I CB 2.374 40.348 38.000 -0.043 0.000 1.227 311 I HN 0.900 nan 8.210 nan 0.000 0.434 312 A N 4.532 127.412 122.820 0.099 0.000 2.343 312 A HA 0.785 5.105 4.320 -0.000 0.000 0.308 312 A C -1.449 176.288 177.584 0.256 0.000 1.092 312 A CA -0.503 51.656 52.037 0.203 0.000 0.751 312 A CB 1.525 20.661 19.000 0.225 0.000 1.203 312 A HN 0.749 nan 8.150 nan 0.000 0.452 313 L N 2.437 123.757 121.223 0.162 0.000 2.333 313 L HA 0.856 5.196 4.340 -0.000 0.000 0.280 313 L C 0.092 176.695 176.870 -0.444 0.000 1.004 313 L CA 0.106 54.916 54.840 -0.050 0.000 0.820 313 L CB 1.857 43.846 42.059 -0.116 0.000 1.247 313 L HN 0.818 nan 8.230 nan 0.000 0.416 314 G N 3.566 111.922 108.800 -0.740 0.000 2.617 314 G HA2 0.850 4.809 3.960 -0.000 0.000 0.306 314 G HA3 0.850 4.809 3.960 -0.000 0.000 0.306 314 G C -1.770 172.833 174.900 -0.494 0.000 1.360 314 G CA -0.132 44.139 45.100 -1.383 0.000 0.983 314 G HN 0.992 nan 8.290 nan 0.000 0.496 315 A N 3.232 125.851 122.820 -0.335 0.000 2.574 315 A HA 0.946 5.266 4.320 -0.000 0.000 0.297 315 A C -3.009 174.552 177.584 -0.038 0.000 1.062 315 A CA -1.325 50.652 52.037 -0.100 0.000 0.686 315 A CB 2.220 21.208 19.000 -0.020 0.000 1.285 315 A HN 0.537 nan 8.150 nan 0.000 0.403 316 P HA 0.296 nan 4.420 nan 0.000 0.274 316 P C 0.087 177.431 177.300 0.073 0.000 1.237 316 P CA 0.197 63.330 63.100 0.056 0.000 0.793 316 P CB 0.773 32.522 31.700 0.080 0.000 0.977 317 T N 0.061 114.642 114.554 0.045 0.000 2.882 317 T HA 0.601 4.951 4.350 -0.000 0.000 0.287 317 T C -0.278 174.423 174.700 0.002 0.000 0.992 317 T CA -0.626 61.491 62.100 0.029 0.000 1.076 317 T CB -0.202 68.675 68.868 0.014 0.000 0.961 317 T HN 0.228 nan 8.240 nan 0.000 0.490 318 I N 4.294 124.849 120.570 -0.024 0.000 2.500 318 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 318 I C -0.927 175.141 176.117 -0.082 0.000 1.063 318 I CA -1.013 60.197 61.300 -0.151 0.000 1.062 318 I CB 1.588 39.522 38.000 -0.110 0.000 1.223 318 I HN 0.790 nan 8.210 nan 0.000 0.435 319 Y N 4.790 125.108 120.300 0.031 0.000 3.305 319 Y HA -0.280 4.270 4.550 -0.000 0.000 0.212 319 Y C 0.824 176.731 175.900 0.011 0.000 1.248 319 Y CA 0.946 59.056 58.100 0.017 0.000 1.359 319 Y CB -2.152 36.311 38.460 0.006 0.000 1.407 319 Y HN 0.809 nan 8.280 nan 0.000 0.572 320 D N -2.268 118.200 120.400 0.114 0.000 3.028 320 D HA -0.184 4.455 4.640 -0.000 0.000 0.207 320 D C 0.221 176.554 176.300 0.054 0.000 1.100 320 D CA 1.582 55.626 54.000 0.072 0.000 0.995 320 D CB -0.369 40.475 40.800 0.073 0.000 1.108 320 D HN 0.623 nan 8.370 nan 0.000 0.421 321 E N -0.291 119.943 120.200 0.055 0.000 2.320 321 E HA 0.477 4.827 4.350 -0.000 0.000 0.264 321 E C -2.426 174.191 176.600 0.028 0.000 0.923 321 E CA -1.692 54.729 56.400 0.036 0.000 0.796 321 E CB 1.808 31.529 29.700 0.034 0.000 1.262 321 E HN -0.047 nan 8.360 nan 0.000 0.428 322 P HA 0.019 nan 4.420 nan 0.000 0.271 322 P C -0.246 177.087 177.300 0.055 0.000 1.218 322 P CA -0.206 62.917 63.100 0.040 0.000 0.780 322 P CB 0.163 31.876 31.700 0.022 0.000 0.901 323 Y N 5.169 125.457 120.300 -0.020 0.000 3.032 323 Y HA -0.138 4.412 4.550 -0.000 0.000 0.344 323 Y C -0.762 175.128 175.900 -0.016 0.000 1.273 323 Y CA -0.281 57.810 58.100 -0.015 0.000 1.588 323 Y CB -0.253 38.199 38.460 -0.014 0.000 1.209 323 Y HN 0.419 nan 8.280 nan 0.000 0.597 324 P HA -0.254 nan 4.420 nan 0.000 0.217 324 P C 1.404 178.661 177.300 -0.071 0.000 1.148 324 P CA 2.272 65.237 63.100 -0.224 0.000 0.828 324 P CB -0.113 31.402 31.700 -0.308 0.000 0.783 325 S N -0.674 115.051 115.700 0.042 0.000 2.419 325 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 325 S C 2.073 176.701 174.600 0.047 0.000 1.016 325 S CA 1.025 59.268 58.200 0.072 0.000 0.974 325 S CB -1.802 61.486 63.200 0.147 0.000 0.786 325 S HN -0.035 nan 8.310 nan 0.000 0.492 326 V N 2.269 122.224 119.914 0.068 0.000 2.453 326 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 326 V C 2.753 178.854 176.094 0.011 0.000 1.068 326 V CA 1.956 64.272 62.300 0.027 0.000 1.070 326 V CB -1.503 30.336 31.823 0.027 0.000 0.664 326 V HN 0.703 nan 8.190 nan 0.000 0.461 327 G N -0.942 107.862 108.800 0.007 0.000 2.408 327 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 327 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 327 G C 1.428 176.336 174.900 0.013 0.000 1.156 327 G CA 0.786 45.889 45.100 0.004 0.000 0.793 327 G HN 0.534 nan 8.290 nan 0.000 0.535 328 D N 0.766 121.167 120.400 0.003 0.000 2.092 328 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 328 D C 2.465 178.789 176.300 0.040 0.000 0.994 328 D CA 1.106 55.107 54.000 0.002 0.000 0.828 328 D CB -0.309 40.474 40.800 -0.029 0.000 0.963 328 D HN 0.190 nan 8.370 nan 0.000 0.450 329 L N 0.669 121.914 121.223 0.037 0.000 1.989 329 L HA -0.142 4.197 4.340 -0.000 0.000 0.211 329 L C 2.464 179.403 176.870 0.114 0.000 1.071 329 L CA 1.549 56.435 54.840 0.077 0.000 0.749 329 L CB -0.566 41.508 42.059 0.026 0.000 0.890 329 L HN 0.119 nan 8.230 nan 0.000 0.431 330 L N -1.314 119.947 121.223 0.064 0.000 2.376 330 L HA -0.119 4.221 4.340 -0.000 0.000 0.219 330 L C 2.461 179.383 176.870 0.087 0.000 1.133 330 L CA 1.033 55.911 54.840 0.063 0.000 0.816 330 L CB -0.453 41.621 42.059 0.024 0.000 0.933 330 L HN 0.442 nan 8.230 nan 0.000 0.449 331 M N -1.291 118.364 119.600 0.092 0.000 2.200 331 M HA -0.215 4.265 4.480 -0.000 0.000 0.265 331 M C 2.369 178.767 176.300 0.163 0.000 1.066 331 M CA 1.599 56.957 55.300 0.098 0.000 1.127 331 M CB -0.106 32.536 32.600 0.070 0.000 1.379 331 M HN 0.149 nan 8.290 nan 0.000 0.420 332 Y N 1.249 121.567 120.300 0.030 0.000 2.114 332 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 332 Y C 1.862 177.810 175.900 0.079 0.000 1.143 332 Y CA 1.765 59.889 58.100 0.040 0.000 1.135 332 Y CB -0.689 37.789 38.460 0.030 0.000 0.980 332 Y HN 0.187 nan 8.280 nan 0.000 0.499 333 L N -0.344 120.962 121.223 0.137 0.000 2.079 333 L HA -0.285 4.054 4.340 -0.000 0.000 0.210 333 L C 2.698 179.644 176.870 0.126 0.000 1.081 333 L CA 1.785 56.719 54.840 0.158 0.000 0.752 333 L CB -0.544 41.668 42.059 0.255 0.000 0.896 333 L HN 0.153 nan 8.230 nan 0.000 0.433 334 R N 0.049 120.610 120.500 0.101 0.000 2.096 334 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 334 R C 2.265 178.577 176.300 0.021 0.000 1.127 334 R CA 1.379 57.523 56.100 0.074 0.000 0.968 334 R CB -0.364 29.975 30.300 0.066 0.000 0.861 334 R HN 0.399 nan 8.270 nan 0.000 0.440 335 G N 0.368 109.166 108.800 -0.002 0.000 2.403 335 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.216 335 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.216 335 G C 1.145 175.970 174.900 -0.125 0.000 1.154 335 G CA 0.149 45.223 45.100 -0.044 0.000 0.784 335 G HN 0.141 nan 8.290 nan 0.000 0.538 336 L N 0.145 121.242 121.223 -0.210 0.000 2.156 336 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 336 L C 1.306 177.985 176.870 -0.318 0.000 1.095 336 L CA 0.736 55.362 54.840 -0.355 0.000 0.770 336 L CB -0.531 41.208 42.059 -0.534 0.000 0.914 336 L HN 0.313 nan 8.230 nan 0.000 0.439 337 K N -0.984 119.332 120.400 -0.139 0.000 3.653 337 K HA -0.266 4.054 4.320 -0.000 0.000 0.275 337 K C 0.871 177.394 176.600 -0.129 0.000 0.962 337 K CA 0.314 56.549 56.287 -0.087 0.000 0.773 337 K CB -2.213 30.236 32.500 -0.084 0.000 1.463 337 K HN 0.116 nan 8.250 nan 0.000 0.450 338 F N 1.668 121.539 119.950 -0.132 0.000 2.202 338 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 338 F C 2.359 178.047 175.800 -0.187 0.000 1.082 338 F CA 1.824 59.724 58.000 -0.168 0.000 1.313 338 F CB -0.199 38.646 39.000 -0.259 0.000 1.024 338 F HN 0.483 nan 8.300 nan 0.000 0.495 339 N N 1.109 119.777 118.700 -0.052 0.000 2.588 339 N HA -0.193 4.546 4.740 -0.000 0.000 0.190 339 N C 1.335 176.827 175.510 -0.030 0.000 1.094 339 N CA 0.864 53.869 53.050 -0.074 0.000 0.921 339 N CB -0.597 37.841 38.487 -0.083 0.000 0.959 339 N HN 0.352 nan 8.380 nan 0.000 0.448 340 R N 0.000 120.485 120.500 -0.025 0.000 2.276 340 R HA 0.015 4.355 4.340 -0.000 0.000 0.203 340 R C 1.727 178.036 176.300 0.015 0.000 1.017 340 R CA 1.319 57.411 56.100 -0.013 0.000 1.010 340 R CB 0.104 30.384 30.300 -0.033 0.000 0.900 340 R HN 0.568 nan 8.270 nan 0.000 0.469 341 T N -2.601 111.973 114.554 0.034 0.000 3.156 341 T HA 0.216 4.566 4.350 -0.000 0.000 0.236 341 T C 0.705 175.435 174.700 0.050 0.000 0.978 341 T CA -0.038 62.102 62.100 0.067 0.000 1.240 341 T CB 0.346 69.285 68.868 0.119 0.000 0.951 341 T HN 0.007 nan 8.240 nan 0.000 0.420 342 L N 1.357 122.603 121.223 0.039 0.000 2.482 342 L HA 0.470 4.810 4.340 -0.000 0.000 0.263 342 L C -1.276 175.564 176.870 -0.051 0.000 0.957 342 L CA -0.705 54.140 54.840 0.008 0.000 0.836 342 L CB 2.491 44.564 42.059 0.025 0.000 1.324 342 L HN 0.186 nan 8.230 nan 0.000 0.406 343 T N 4.554 119.073 114.554 -0.058 0.000 2.978 343 T HA 0.255 4.605 4.350 -0.000 0.000 0.278 343 T C 0.291 174.935 174.700 -0.092 0.000 0.945 343 T CA -0.182 61.856 62.100 -0.105 0.000 1.070 343 T CB -0.424 68.414 68.868 -0.051 0.000 0.948 343 T HN 0.428 nan 8.240 nan 0.000 0.617 344 R N 2.723 123.112 120.500 -0.185 0.000 2.594 344 R HA 0.272 4.612 4.340 -0.000 0.000 0.272 344 R C 0.630 176.997 176.300 0.111 0.000 1.074 344 R CA -0.633 55.442 56.100 -0.042 0.000 1.105 344 R CB 0.658 30.927 30.300 -0.052 0.000 1.008 344 R HN 0.341 nan 8.270 nan 0.000 0.472 345 K N 1.016 121.490 120.400 0.123 0.000 2.168 345 K HA 0.453 4.772 4.320 -0.000 0.000 0.258 345 K C -0.339 176.375 176.600 0.191 0.000 1.010 345 K CA -0.280 56.089 56.287 0.136 0.000 0.929 345 K CB 1.410 33.958 32.500 0.080 0.000 0.998 345 K HN 0.689 nan 8.250 nan 0.000 0.479 346 A N 1.533 124.441 122.820 0.147 0.000 2.520 346 A HA 0.522 4.842 4.320 -0.000 0.000 0.298 346 A C -1.754 175.874 177.584 0.073 0.000 1.051 346 A CA -0.742 51.352 52.037 0.095 0.000 0.690 346 A CB 1.308 20.341 19.000 0.056 0.000 1.281 346 A HN 0.470 nan 8.150 nan 0.000 0.402 347 L N 2.512 123.782 121.223 0.077 0.000 2.341 347 L HA 0.800 5.140 4.340 -0.000 0.000 0.278 347 L C -1.050 175.922 176.870 0.169 0.000 1.005 347 L CA -0.435 54.469 54.840 0.108 0.000 0.818 347 L CB 1.806 43.922 42.059 0.094 0.000 1.259 347 L HN 0.491 nan 8.230 nan 0.000 0.418 348 V N 5.802 125.810 119.914 0.156 0.000 2.547 348 V HA 0.689 4.809 4.120 -0.000 0.000 0.299 348 V C -0.417 175.831 176.094 0.257 0.000 1.040 348 V CA -0.321 62.062 62.300 0.139 0.000 0.913 348 V CB 1.446 33.294 31.823 0.042 0.000 0.992 348 V HN 0.775 nan 8.190 nan 0.000 0.449 349 F N 1.074 121.035 119.950 0.019 0.000 2.741 349 F HA 1.003 5.529 4.527 -0.000 0.000 0.313 349 F C -0.230 175.587 175.800 0.029 0.000 1.153 349 F CA -0.505 57.508 58.000 0.021 0.000 0.931 349 F CB 1.651 40.659 39.000 0.014 0.000 1.335 349 F HN 0.897 nan 8.300 nan 0.000 0.460 350 G N 0.221 109.117 108.800 0.161 0.000 2.340 350 G HA2 0.475 4.435 3.960 -0.000 0.000 0.298 350 G HA3 0.475 4.435 3.960 -0.000 0.000 0.298 350 G C -2.084 172.875 174.900 0.099 0.000 1.498 350 G CA -0.334 44.800 45.100 0.056 0.000 0.847 350 G HN 0.964 nan 8.290 nan 0.000 0.594 351 S N -1.059 114.688 115.700 0.077 0.000 2.672 351 S HA 0.890 5.360 4.470 -0.000 0.000 0.276 351 S C 0.112 174.728 174.600 0.027 0.000 1.207 351 S CA 0.387 58.622 58.200 0.059 0.000 1.002 351 S CB 0.815 64.055 63.200 0.068 0.000 0.998 351 S HN 1.497 nan 8.310 nan 0.000 0.542 352 M N 0.931 120.517 119.600 -0.024 0.000 2.833 352 M HA 0.644 5.124 4.480 -0.000 0.000 0.270 352 M C 0.001 176.122 176.300 -0.298 0.000 1.209 352 M CA -0.528 54.727 55.300 -0.074 0.000 0.826 352 M CB 0.900 33.485 32.600 -0.025 0.000 1.657 352 M HN 0.464 nan 8.290 nan 0.000 0.492 353 G N -1.335 107.266 108.800 -0.331 0.000 3.274 353 G HA2 0.611 4.570 3.960 -0.000 0.000 0.250 353 G HA3 0.611 4.570 3.960 -0.000 0.000 0.250 353 G C 0.139 174.946 174.900 -0.156 0.000 1.024 353 G CA 0.292 44.944 45.100 -0.747 0.000 0.840 353 G HN 1.143 nan 8.290 nan 0.000 0.522 354 G N 0.647 109.423 108.800 -0.040 0.000 3.481 354 G HA2 0.133 4.092 3.960 -0.000 0.000 0.180 354 G HA3 0.133 4.092 3.960 -0.000 0.000 0.180 354 G C 0.428 175.320 174.900 -0.014 0.000 1.345 354 G CA -0.014 45.089 45.100 0.006 0.000 1.104 354 G HN 0.145 nan 8.290 nan 0.000 0.749 355 N N 0.656 119.354 118.700 -0.003 0.000 2.412 355 N HA 0.342 5.082 4.740 -0.000 0.000 0.184 355 N C 1.225 176.735 175.510 0.001 0.000 1.101 355 N CA 0.492 53.539 53.050 -0.005 0.000 0.881 355 N CB 0.765 39.255 38.487 0.005 0.000 0.969 355 N HN 0.891 nan 8.380 nan 0.000 0.459 356 G N 0.384 109.185 108.800 0.002 0.000 2.575 356 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 356 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 356 G C 0.645 175.553 174.900 0.014 0.000 1.264 356 G CA 0.025 45.129 45.100 0.006 0.000 0.935 356 G HN 0.678 nan 8.290 nan 0.000 0.568 357 G N -3.036 105.773 108.800 0.015 0.000 2.480 357 G HA2 0.277 4.237 3.960 -0.000 0.000 0.193 357 G HA3 0.277 4.237 3.960 -0.000 0.000 0.193 357 G C 1.753 176.663 174.900 0.016 0.000 1.004 357 G CA 1.373 46.483 45.100 0.017 0.000 0.696 357 G HN 2.326 nan 8.290 nan 0.000 0.478 358 A N 0.890 123.718 122.820 0.014 0.000 1.892 358 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 358 A C 2.714 180.297 177.584 -0.002 0.000 1.188 358 A CA 3.693 55.734 52.037 0.007 0.000 0.631 358 A CB -1.317 17.686 19.000 0.005 0.000 0.822 358 A HN 1.505 nan 8.150 nan 0.000 0.447 359 T N -2.733 111.823 114.554 0.002 0.000 2.777 359 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 359 T C 1.940 176.647 174.700 0.012 0.000 1.040 359 T CA 1.547 63.651 62.100 0.005 0.000 1.141 359 T CB -1.022 67.862 68.868 0.026 0.000 0.868 359 T HN 0.470 nan 8.240 nan 0.000 0.444 360 G N 1.546 110.355 108.800 0.016 0.000 2.446 360 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 360 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 360 G C 1.734 176.643 174.900 0.015 0.000 1.168 360 G CA 1.465 46.575 45.100 0.017 0.000 0.771 360 G HN 0.542 nan 8.290 nan 0.000 0.551 361 T N 1.241 115.802 114.554 0.012 0.000 2.737 361 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 361 T C 2.519 177.223 174.700 0.006 0.000 1.038 361 T CA 1.340 63.446 62.100 0.011 0.000 1.144 361 T CB -0.209 68.666 68.868 0.010 0.000 0.866 361 T HN 0.166 nan 8.240 nan 0.000 0.434 362 M N 0.797 120.395 119.600 -0.004 0.000 2.086 362 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 362 M C 2.473 178.766 176.300 -0.011 0.000 1.067 362 M CA 1.635 56.924 55.300 -0.018 0.000 1.116 362 M CB -0.393 32.181 32.600 -0.042 0.000 1.348 362 M HN 0.131 nan 8.290 nan 0.000 0.407 363 K N 0.702 121.104 120.400 0.003 0.000 2.074 363 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 363 K C 1.887 178.505 176.600 0.029 0.000 1.048 363 K CA 1.997 58.295 56.287 0.019 0.000 0.926 363 K CB -0.193 32.324 32.500 0.027 0.000 0.713 363 K HN 0.404 nan 8.250 nan 0.000 0.444 364 E N 0.539 120.755 120.200 0.026 0.000 2.051 364 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 364 E C 2.016 178.639 176.600 0.038 0.000 0.991 364 E CA 1.351 57.769 56.400 0.031 0.000 0.799 364 E CB -0.112 29.603 29.700 0.024 0.000 0.748 364 E HN 0.412 nan 8.360 nan 0.000 0.449 365 L N 0.546 121.788 121.223 0.030 0.000 2.131 365 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 365 L C 2.706 179.611 176.870 0.058 0.000 1.087 365 L CA 0.440 55.302 54.840 0.037 0.000 0.767 365 L CB -0.255 41.816 42.059 0.021 0.000 0.917 365 L HN 0.199 nan 8.230 nan 0.000 0.441 366 L N -0.236 121.008 121.223 0.035 0.000 2.079 366 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 366 L C 2.846 179.842 176.870 0.210 0.000 1.081 366 L CA 1.209 56.083 54.840 0.055 0.000 0.752 366 L CB -0.603 41.409 42.059 -0.078 0.000 0.896 366 L HN 0.271 nan 8.230 nan 0.000 0.433 367 A N -0.362 122.542 122.820 0.140 0.000 1.898 367 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 367 A C 2.136 179.792 177.584 0.120 0.000 1.181 367 A CA 1.543 53.661 52.037 0.136 0.000 0.620 367 A CB -0.414 18.638 19.000 0.087 0.000 0.819 367 A HN 0.427 nan 8.150 nan 0.000 0.442 368 E N -0.492 119.767 120.200 0.099 0.000 2.204 368 E HA -0.077 4.272 4.350 -0.000 0.000 0.195 368 E C 1.909 178.572 176.600 0.104 0.000 0.990 368 E CA 0.805 57.254 56.400 0.081 0.000 0.821 368 E CB -0.178 29.559 29.700 0.062 0.000 0.750 368 E HN 0.617 nan 8.360 nan 0.000 0.477 369 A N -0.121 122.800 122.820 0.167 0.000 2.251 369 A HA 0.279 4.599 4.320 -0.000 0.000 0.209 369 A C 1.477 179.210 177.584 0.248 0.000 1.187 369 A CA 0.775 52.949 52.037 0.228 0.000 0.823 369 A CB 0.142 19.319 19.000 0.295 0.000 0.846 369 A HN 0.297 nan 8.150 nan 0.000 0.486 370 G N -1.921 106.993 108.800 0.190 0.000 2.151 370 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.156 370 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.156 370 G C -0.239 174.573 174.900 -0.147 0.000 1.017 370 G CA -0.222 44.884 45.100 0.009 0.000 0.686 370 G HN 0.232 nan 8.290 nan 0.000 0.503 371 F N 0.324 120.299 119.950 0.042 0.000 2.483 371 F HA 0.601 5.127 4.527 -0.000 0.000 0.329 371 F C 0.465 176.282 175.800 0.028 0.000 1.064 371 F CA -1.264 56.755 58.000 0.030 0.000 0.986 371 F CB 1.357 40.368 39.000 0.018 0.000 1.218 371 F HN -0.038 nan 8.300 nan 0.000 0.484 372 D N 1.972 122.490 120.400 0.197 0.000 2.524 372 D HA 0.111 4.751 4.640 -0.000 0.000 0.222 372 D C -1.089 175.286 176.300 0.126 0.000 1.142 372 D CA 0.155 54.226 54.000 0.119 0.000 0.973 372 D CB 0.695 41.542 40.800 0.077 0.000 1.025 372 D HN 0.275 nan 8.370 nan 0.000 0.519 373 V N 2.797 122.784 119.914 0.121 0.000 2.334 373 V HA 0.688 4.807 4.120 -0.000 0.000 0.267 373 V C -0.604 175.531 176.094 0.069 0.000 1.040 373 V CA -0.228 62.130 62.300 0.097 0.000 0.866 373 V CB 0.411 32.286 31.823 0.086 0.000 1.019 373 V HN 0.540 nan 8.190 nan 0.000 0.468 374 A N 4.936 127.794 122.820 0.063 0.000 2.449 374 A HA 0.826 5.146 4.320 -0.000 0.000 0.302 374 A C -0.274 177.339 177.584 0.049 0.000 1.048 374 A CA -0.198 51.869 52.037 0.050 0.000 0.708 374 A CB 1.337 20.363 19.000 0.044 0.000 1.274 374 A HN 1.660 nan 8.150 nan 0.000 0.410 375 C N 0.822 120.150 119.300 0.046 0.000 0.177 375 C HA 0.016 4.476 4.460 -0.000 0.000 0.020 375 C C -0.218 174.809 174.990 0.062 0.000 0.172 375 C CA 0.595 59.642 59.018 0.047 0.000 0.519 375 C CB -1.902 25.863 27.740 0.041 0.000 3.210 375 C HN 1.177 nan 8.230 nan 0.000 1.117 376 E N 2.021 122.259 120.200 0.064 0.000 2.317 376 E HA 0.780 5.130 4.350 -0.000 0.000 0.270 376 E C -1.127 175.527 176.600 0.090 0.000 0.885 376 E CA -0.739 55.713 56.400 0.088 0.000 0.760 376 E CB 2.089 31.833 29.700 0.073 0.000 1.227 376 E HN 0.523 nan 8.360 nan 0.000 0.434 377 E N 1.689 121.969 120.200 0.134 0.000 2.129 377 E HA 0.249 4.599 4.350 -0.000 0.000 0.268 377 E C -1.259 175.426 176.600 0.142 0.000 0.900 377 E CA -0.385 56.085 56.400 0.117 0.000 0.755 377 E CB 1.956 31.707 29.700 0.086 0.000 1.117 377 E HN 0.546 nan 8.360 nan 0.000 0.410 378 E N 2.155 122.412 120.200 0.096 0.000 2.222 378 E HA 0.509 4.859 4.350 -0.000 0.000 0.267 378 E C -1.411 175.236 176.600 0.078 0.000 0.884 378 E CA -0.768 55.684 56.400 0.086 0.000 0.764 378 E CB 1.827 31.563 29.700 0.060 0.000 1.169 378 E HN 0.113 nan 8.360 nan 0.000 0.413 379 V N 4.418 124.381 119.914 0.083 0.000 2.686 379 V HA 0.165 4.285 4.120 -0.000 0.000 0.306 379 V C -0.986 175.164 176.094 0.095 0.000 1.065 379 V CA -0.863 61.490 62.300 0.089 0.000 0.894 379 V CB 1.689 33.561 31.823 0.082 0.000 1.004 379 V HN 0.715 nan 8.190 nan 0.000 0.424 380 Y N 5.918 126.193 120.300 -0.041 0.000 2.537 380 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 380 Y C 0.859 176.751 175.900 -0.014 0.000 1.066 380 Y CA 0.416 58.447 58.100 -0.114 0.000 1.357 380 Y CB -0.185 38.221 38.460 -0.091 0.000 1.175 380 Y HN 0.758 nan 8.280 nan 0.000 0.525 381 Y N 1.265 121.376 120.300 -0.315 0.000 2.815 381 Y HA -0.423 4.126 4.550 -0.000 0.000 0.471 381 Y C 0.487 176.297 175.900 -0.150 0.000 1.140 381 Y CA 0.699 58.610 58.100 -0.315 0.000 2.728 381 Y CB -1.834 36.303 38.460 -0.539 0.000 1.169 381 Y HN 0.306 nan 8.280 nan 0.000 0.620 382 V N 4.011 123.962 119.914 0.060 0.000 2.461 382 V HA 0.274 4.394 4.120 -0.000 0.000 0.275 382 V C -2.038 174.073 176.094 0.028 0.000 1.047 382 V CA -1.392 60.920 62.300 0.020 0.000 0.955 382 V CB 1.011 32.822 31.823 -0.019 0.000 0.988 382 V HN 0.252 nan 8.190 nan 0.000 0.471 383 P HA 0.160 nan 4.420 nan 0.000 0.267 383 P C 0.251 177.562 177.300 0.019 0.000 1.205 383 P CA 0.042 63.158 63.100 0.027 0.000 0.765 383 P CB 0.326 32.035 31.700 0.015 0.000 0.828 384 T N -0.457 114.113 114.554 0.027 0.000 2.732 384 T HA 0.260 4.609 4.350 -0.000 0.000 0.287 384 T C 1.721 176.424 174.700 0.006 0.000 0.993 384 T CA 0.138 62.248 62.100 0.018 0.000 0.966 384 T CB 0.226 69.110 68.868 0.026 0.000 1.047 384 T HN 0.359 nan 8.240 nan 0.000 0.527 385 G N 0.243 109.042 108.800 -0.002 0.000 2.446 385 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 385 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 385 G C 1.204 176.094 174.900 -0.015 0.000 1.168 385 G CA 0.878 45.969 45.100 -0.014 0.000 0.771 385 G HN 0.843 nan 8.290 nan 0.000 0.551 386 D N 0.709 121.105 120.400 -0.007 0.000 2.144 386 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 386 D C 2.255 178.559 176.300 0.006 0.000 0.984 386 D CA 1.026 55.024 54.000 -0.004 0.000 0.834 386 D CB -0.185 40.616 40.800 0.002 0.000 0.955 386 D HN 0.453 nan 8.370 nan 0.000 0.465 387 E N 0.073 120.282 120.200 0.014 0.000 2.208 387 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 387 E C 2.285 178.897 176.600 0.019 0.000 0.988 387 E CA 0.118 56.532 56.400 0.023 0.000 0.828 387 E CB 0.083 29.804 29.700 0.034 0.000 0.763 387 E HN 0.229 nan 8.360 nan 0.000 0.478 388 L N 0.936 122.166 121.223 0.011 0.000 2.109 388 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 388 L C 1.636 178.528 176.870 0.037 0.000 1.086 388 L CA 0.771 55.619 54.840 0.014 0.000 0.760 388 L CB -0.192 41.869 42.059 0.003 0.000 0.910 388 L HN 0.062 nan 8.230 nan 0.000 0.437 389 D N 0.437 120.841 120.400 0.008 0.000 2.144 389 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 389 D C 2.263 178.610 176.300 0.078 0.000 0.978 389 D CA 1.371 55.373 54.000 0.003 0.000 0.833 389 D CB -0.121 40.645 40.800 -0.058 0.000 0.961 389 D HN 0.288 nan 8.370 nan 0.000 0.470 390 A N 0.504 123.354 122.820 0.050 0.000 1.883 390 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 390 A C 2.534 180.148 177.584 0.051 0.000 1.186 390 A CA 1.491 53.559 52.037 0.051 0.000 0.624 390 A CB -1.102 17.917 19.000 0.033 0.000 0.822 390 A HN 0.358 nan 8.150 nan 0.000 0.444 391 C N -2.133 117.187 119.300 0.033 0.000 2.413 391 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 391 C C 2.419 177.410 174.990 0.003 0.000 1.228 391 C CA 1.019 60.022 59.018 -0.025 0.000 1.731 391 C CB -1.634 26.065 27.740 -0.068 0.000 2.042 391 C HN 0.690 nan 8.230 nan 0.000 0.468 392 F N 2.237 122.137 119.950 -0.083 0.000 2.043 392 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 392 F C 2.422 178.189 175.800 -0.054 0.000 1.118 392 F CA 2.501 60.461 58.000 -0.067 0.000 1.202 392 F CB -0.452 38.519 39.000 -0.047 0.000 0.965 392 F HN 0.201 nan 8.300 nan 0.000 0.482 393 E N 0.905 121.269 120.200 0.273 0.000 2.085 393 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 393 E C 2.058 178.658 176.600 0.000 0.000 0.994 393 E CA 1.646 58.131 56.400 0.142 0.000 0.801 393 E CB -0.740 29.047 29.700 0.146 0.000 0.743 393 E HN 0.448 nan 8.360 nan 0.000 0.453 394 A N 0.065 122.876 122.820 -0.016 0.000 1.933 394 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 394 A C 2.465 179.995 177.584 -0.091 0.000 1.175 394 A CA 1.789 53.801 52.037 -0.042 0.000 0.628 394 A CB -1.230 17.746 19.000 -0.040 0.000 0.814 394 A HN 0.422 nan 8.150 nan 0.000 0.444 395 G N -0.887 107.817 108.800 -0.160 0.000 2.394 395 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.215 395 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.215 395 G C 1.731 176.498 174.900 -0.222 0.000 1.165 395 G CA 0.852 45.827 45.100 -0.208 0.000 0.784 395 G HN 0.520 nan 8.290 nan 0.000 0.535 396 R N 0.565 120.891 120.500 -0.290 0.000 2.081 396 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 396 R C 2.473 178.707 176.300 -0.110 0.000 1.131 396 R CA 1.618 57.577 56.100 -0.235 0.000 0.960 396 R CB -0.240 29.918 30.300 -0.237 0.000 0.856 396 R HN 0.299 nan 8.270 nan 0.000 0.436 397 K N 0.824 121.179 120.400 -0.074 0.000 2.057 397 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 397 K C 2.116 178.700 176.600 -0.027 0.000 1.050 397 K CA 0.967 57.234 56.287 -0.033 0.000 0.935 397 K CB -0.217 32.275 32.500 -0.014 0.000 0.715 397 K HN 0.273 nan 8.250 nan 0.000 0.439 398 L N 0.818 122.020 121.223 -0.035 0.000 2.042 398 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 398 L C 2.460 179.317 176.870 -0.021 0.000 1.076 398 L CA 1.666 56.495 54.840 -0.019 0.000 0.749 398 L CB -0.484 41.560 42.059 -0.024 0.000 0.893 398 L HN 0.291 nan 8.230 nan 0.000 0.432 399 A N -0.634 122.158 122.820 -0.046 0.000 1.897 399 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 399 A C 2.428 179.995 177.584 -0.028 0.000 1.181 399 A CA 1.363 53.375 52.037 -0.042 0.000 0.620 399 A CB -0.614 18.342 19.000 -0.074 0.000 0.821 399 A HN 0.505 nan 8.150 nan 0.000 0.443 400 A N 0.323 123.125 122.820 -0.030 0.000 1.902 400 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 400 A C 1.934 179.515 177.584 -0.004 0.000 1.181 400 A CA 2.081 54.108 52.037 -0.016 0.000 0.623 400 A CB -0.549 18.442 19.000 -0.014 0.000 0.818 400 A HN 0.642 nan 8.150 nan 0.000 0.443 401 E N 0.380 120.579 120.200 -0.001 0.000 2.333 401 E HA -0.136 4.213 4.350 -0.000 0.000 0.198 401 E C 1.237 177.844 176.600 0.011 0.000 1.007 401 E CA 1.513 57.917 56.400 0.008 0.000 0.845 401 E CB -0.435 29.272 29.700 0.012 0.000 0.766 401 E HN 0.771 nan 8.360 nan 0.000 0.507 402 I N -2.589 117.987 120.570 0.010 0.000 3.976 402 I HA 0.327 4.497 4.170 -0.000 0.000 0.337 402 I C 0.651 176.775 176.117 0.013 0.000 1.359 402 I CA -0.466 60.843 61.300 0.015 0.000 1.098 402 I CB 0.245 38.258 38.000 0.021 0.000 1.027 402 I HN -0.173 nan 8.210 nan 0.000 0.394 403 R N 0.000 120.505 120.500 0.008 0.000 2.786 403 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 403 R CA 0.000 56.104 56.100 0.007 0.000 0.921 403 R CB 0.000 30.302 30.300 0.003 0.000 0.687 403 R HN 0.000 nan 8.270 nan 0.000 0.535